SCHEMBL10434646

2-Nonenenitrile

29127-83-1

(E)-non-2-enenitrile

(2E)-2-Nonenenitrile #

SCHEMBL112825

100-45-8

3-Cyclohexene-1-carbonitrile

4-Cyano-1-cyclohexene

4-Cyanocyclohexene

cyclohex-3-enecarbonitrile

3-Cyclohexenecarbonitrile

3-Cyclohexenyl cyanide

1-Cyano-3-cyclohexene

cyclohex-3-ene-1-carbonitrile

Cyclohex-3-enenitrile

3-Cyklohexenylkyanid

D65GN9AVCH

NSC-7407

3-Cyklohexenylkyanid [Czech]

4-Cyanocyclohexene-1

1,2,5,6-Tetrahydrobenzonitrile

NSC 7407

UNII-D65GN9AVCH

BRN 0636074

AI3-08635

NSC7407

Tetrahydrobenzonitrile

4-Cyclohexenecarbonitrile

WLN: L6UTJ DCN

4-09-00-00116 (Beilstein Handbook Reference)

SCHEMBL167234

3-aCyclohexene-a1-acarbonitrile

1,2,3,6-Tetrahydrobenzonitrile

DTXSID70861706

MFCD00013778

AKOS006229199

AS-47878

NS00096253

(+/-)-3-CYCLOHEXENE-1-CARBONITRILE

F16653

Q22079568

Octanenitrile

124-12-9

Caprylonitrile

OCTANONITRILE

Heptyl cyanide

Arneel 8

Caprylnitrile

1-Cyanoheptane

DTXSID1047655

D6646V87PY

NSC-5513

n-Heptyl cyanide

NSC 5513

EINECS 204-682-2

BRN 1744063

heptylcyanide

n-heptylcyanide

octane nitrile

UNII-D6646V87PY

AI3-33240

Normal-heptyl cyanide

Heptyl cyanide, 97%

SCHEMBL441

EC 204-682-2

4-02-00-00993 (Beilstein Handbook Reference)

CHEMBL3183772

DTXCID9027655

NSC5513

Tox21_302546

MFCD00001983

AKOS009158784

MCULE-3399476727

NCGC00256895-01

CAS-124-12-9

NS00002805

O0221

J-005045

Q2089283

2-Methylbutyronitrile

2-Methylbutanenitrile

18936-17-9

2-Cyanobutane

Butanenitrile, 2-methyl-

sec-Butyl Cyanide

alpha-Methylbutyronitrile

2-Methylbutanone cyanohydrin

Butyronitrile, 2-methyl-

s-butyl cyanide

.alpha.-Methylbutyronitrile

R5Y900M14U

NSC-165615

EINECS 242-687-1

NSC 165615

2-methylbutylnitrile

starbld0016720

EC 242-687-1

UNII-R5Y900M14U

(+/-)-2-CYANOBUTANE

CHEBI:61669

DTXSID50871287

MFCD00001877

NSC165615

NSC827138

AKOS009157026

NSC-827138

CS-0217171

M0706

NS00005064

EN300-69936

C21525

J-012219

2-Methylbutyronitrile, Lonza quality, >=80.0% (GC)

Q27131266

(+)-(S)-2-methylbutane nitrile; Butanenitrile,2-methyl-,(2S); (S)-2-Methyl-butyronitril; (S)-(+)-2-Methylbutyronitrile

HEPTANENITRILE

629-08-3

Heptanonitrile

Hexyl cyanide

Enanthonitrile

1-Cyanohexane

Heptane-1-nitrile

1-Heptanonitrile

n-Heptanenitrile

UA4Z3QT98A

DTXSID0021599

NSC-2172

NSC 2172

EINECS 211-071-4

UNII-UA4Z3QT98A

Heptane nitrile

Heptyl nitrile

AI3-28301

n-Hexyl cyanide

1-heptanenitrile

SCHEMBL130441

DTXCID401599

CHEMBL1231869

SDAXRHHPNYTELL-UHFFFAOYSA-

NSC2172

Tox21_200526

MFCD00039503

AKOS009157585

MCULE-7652123212

NCGC00248675-01

NCGC00258080-01

BS-42428

CAS-629-08-3

DB-054326

H0883

NS00022578

EN300-99427

D90969

J-802032

Q27290979

InChI=1/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3

CNX

HEXANENITRILE

628-73-9

Capronitrile

Hexanonitrile

n-Capronitrile

Pentyl cyanide

1-Cyanopentane

Tricapronile

n-Amyl cyanide

n-hexanenitrile

Hexane nitrile

Nitriles, C6-12

n-Pentyl cyanide

NSC 1076

68002-67-5

S1XKP5498P

NSC-1076

Hexanenitrile--d3

EINECS 211-052-0

BRN 1633601

UNII-S1XKP5498P

AI3-28396

Amyl Cyanide

n-Caproic nitrile

EINECS 268-081-7

Hexanenitrile, 98%

1219805-03-4

WLN: NC5

4-02-00-00930 (Beilstein Handbook Reference)

DTXSID0060858

NSC1076

CHEBI:229321

MFCD00001979

AKOS000158157

H0102

NS00035201

D90798

Q27288465

InChI=1/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H

Isobutyronitrile

2-METHYLPROPANENITRILE

78-82-0

Isopropyl cyanide

2-Methylpropionitrile

Propanenitrile, 2-methyl-

2-Cyanopropane

Isopropyl nitrile

Dimethylacetonitrile

Isopropylnitrile

1-Cyano-1-methylethane

Propanenitrile,2-methyl-

Isopropylkyanid

2-Methylpropane nitrile

alpha-Methylpropanenitrile

NSC 60536

UN2284

Isopropyl-d6Nitrile

.alpha.-Methylpropanenitrile

699AWF2WV2

DTXSID5026461

MFCD00001873

NSC-60536

DTXCID606461

Isopropylkyanid [Czech]

CAS-78-82-0

HSDB 5221

Propanoic acid, 2-methyl-, nitrile

EINECS 201-147-5

ISO BUTYRO NITRILE

BRN 1340512

UNII-699AWF2WV2

2-propylcyanide

AI3-28525

CCRIS 9442

iso-butyronitrile

ISOBUTANENITRILE

2-methyl-propionitrile

iso-C3H7CN

2-methyl-propanenitrile

Isobutyronitrile, 99%

Isobutyronitrile, 99.6%

(CH3)2CHCN

ISOBUTYRONITRILE [MI]

4-02-00-00853 (Beilstein Handbook Reference)

WLN: NCY1&1

CHEMBL1492874

CHEBI:28638

DTXSID30186003

NSC60536

Tox21_201929

Tox21_303042

AKOS000119968

MCULE-8390118776

UN 2284

UN-2284

NCGC00091769-01

NCGC00091769-02

NCGC00257156-01

NCGC00259478-01

2-Methylpropanenitrile, Isopropyl cyanide

I0112

NS00038007

EN300-19661

C02420

Isobutyronitrile [UN2284] [Flammable liquid]

InChI=1/C4H7N/c1-4(2)3-5/h4H,1-2H

J-510084

Q1960244

F0001-2057

The Henry's Law constant for 2-methylpropanenitrile is estimated as 5.4X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2-methylpropanenitrile is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 16 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 7 days(SRC). 2-Methylpropanenitrile is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 32.7 mm Hg(4).

The Koc of 2-methylpropanenitrile is estimated as 37(SRC), using a log Kow of 0.46(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-methylpropanenitrile is expected to have very high mobility in soil(SRC).

ACETONITRILE

Cyanomethane

Methyl cyanide

75-05-8

Ethanenitrile

Ethyl nitrile

Methanecarbonitrile

Methane, cyano-

Acetonitril

Cyanure de methyl

Methylkyanid

MeCN

USAF EK-488

RCRA waste number U003

Methylkyanid [Czech]

NCI-C60822

148642-19-7

NCMe

Cyanure de methyl [French]

Acetonitril [German, Dutch]

HSDB 42

Acetonitrile, anhydrous

CCRIS 1628

CH3CN

Acetonitrile with 0.1% ammonium acetate

NSC 7593

EINECS 200-835-2

UNII-Z072SB282N

DTXSID7020009

CHEBI:38472

AI3-00327

Z072SB282N

NSC-7593

DTXCID909

CH3-C#N

EC 200-835-2

ACETONITRILE WITH 0.1per cent AMMONIUM ACETATE

MFCD00001878

ACETONITRILE (II)

ACETONITRILE [II]

Acetonitrile [UN1648] [Flammable liquid]

ACETONITRILE (MART.)

ACETONITRILE [MART.]

Acetonitril (GERMAN, DUTCH)

Acetonitrile, for DNA synthesis

acetnitrile

Ethanonitrile

CCN

Acetonitrile, for HPLC, gradient grade, >=99.9%

UN1648

RCRA waste no. U003

acetonitile

acetonitnle

acetonitriie

acteonitril

acteonitrile

actonitrile

methylcyanide

methylnitrile

ace-tonitrile

aceto-nitrile

acetonitrile-

Acetonitrile ACS

CC.equiv.N

Acetonitrile LC-MS

Acetonitrile HPLC grade

H3CCN

ACETONITRILE [MI]

Acetonitrile, LCMS grade

ACETONITRILE CLUSTER

bmse000826

bmse000896

ACETONITRILE [HSDB]

Acetonitrile, HPLC Reagent

WLN: NC1

Acetonitrile, >=99.5%

ACETONITRILE [USP-RS]

Acetonitrile, puriss., 95%

CHEMBL45211

METHYL CYANIDE (MECN)

Acetonitrile, for chromatography

Acetonitrile UV/HPLC ACS grade

Acetonitrile, analytical standard

Acetonitrile for preparative HPLC

Acetonitrile, AR, >=99.5%

Acetonitrile, Environmental Grade

DTXSID20183561

NSC7593

Acetonitrile, anhydrous, 99.8%

Acetonitrile, >=99.5% (GC)

Acetonitrile, HPLC gradient Grade

Acetonitrile (anhydrous, 99.8%)

STR02933

Acetonitrile, far UV/gradient grade

Tox21_202481

Acetonitrile, HPLC Grade (Far UV)

Acetonitrile, p.a., dry, 99.9%

Acetonitrile, ReagentPlus(R), 99%

c1151

STL283937

Acetonitrile, Spectrophotometric Grade

Acetonitrile, >=99.8%, for HPLC

Acetonitrile, for HPLC, >=99.9%

AKOS000269067

InChI=1/C2H3N/c1-2-3/h1H

Acetonitrile, HPLC Plus, >=99.9%

MCULE-8803543318

NA 1648

UN 1648

Acetonitrile, >=99.5%, ACS reagent

Acetonitrile, ACS reagent, >=99.5%

Acetonitrile, AldraSORB(TM), 99.8%

Acetonitrile, purum, >=99.0% (GC)

CAS-75-05-8

Acetonitrile (for HPLC) isocratic grade

Acetonitrile, HPLC grade, >=99.93%

NCGC00091552-01

NCGC00260030-01

Acetonitrile 1000 microg/mL in Methanol

Acetonitrile, purification grade, 99.8%

Ultrapure Acetonitrile, for DNA synthesis

Acetonitrile, biotech. grade, >=99.93%

Acetonitrile, p.a., ACS reagent, 99.8%

Acetonitrile, SAJ first grade, >=99.0%

A0060

A0293

A0793

Acetonitrile, JIS special grade, >=99.5%

NS00002918

Acetonitrile, anhydrous, ZerO2(TM), 99.8%

EN300-21632

Acetonitrile, for HPLC-GC, >=99.8% (GC)

Acetonitrile, for UHPLC, for mass spectrometry

Acetonitrile, Supergradient HPLC Grade (Far UV)

Acetonitrile, spectrophotometric grade, >=99.5%

Q408047

Acetonitrile, for HPLC, for UV, >=99.9% (GC)

Acetonitrile, puriss. p.a., ACS reagent, 99.8%

J-008497

Acetonitrile, for preparative HPLC, >=99.8% (GC)

Acetonitrile, for synthesis of DNA, >=99.9% (GC)

for DNA synthesis, inverted exclamation markY99.9%(GC)

Acetonitrile with 0.1% Trifluoroacetic acid, LC-MS Grade

Acetonitrile, electronic grade, 99.999% trace metals basis

Acetonitrile, for HPLC, gradient grade, >=99.9% (GC)

Acetonitrile, for HPLC, gradient grade, >=99.90% (GC)

Acetonitrile, puriss. p.a., ACS reagent, >=99.5% (GC)

Acetonitrile with 0.1% ammonium acetate, tested for UHPLC-MS

Acetonitrile, for protein sequence analysis, >=99.8% (GC)

Acetonitrile, Vetec(TM) reagent grade, anhydrous, >=99.8%

Acetonitrile, Preparateur, >=99.9% (GC), Customized plastic drum

Acetonitrile, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.5% (GC)

Acetonitrile, Pharmaceutical Secondary Standard; Certified Reference Material

Acetonitrile, Preparateur, >=99.9% (GC), One-time steel-plastic (SP) drum

Alcohol Determination - Acetonitrile, United States Pharmacopeia (USP) Reference Standard

Acetonitrile for oligo synthesis (Water < 10 ppm) NC-0609 2.5L 4 GL45 thread 4 L US38 thread, emp Biotech GmbH

Acetonitrile for oligo synthesis (Water content < 20 ppm) 2.5L GL45 thread, 4L US38 thread emp Biotech GmbH

Residual Solvent - Acetonitrile, Pharmaceutical Secondary Standard; Certified Reference Material

Residual Solvent Class 2 - Acetonitrile, United States Pharmacopeia (USP) Reference Standard

The Henry's Law constant for acetonitrile is 3.45X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that acetonitrile is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 12 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 7.5 days(SRC). Acetonitrile's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Acetonitrile is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 88.8 mm Hg(3).
Literature: (1) Gaffney JS et al; Environ Sci Technol 21: 519-23 (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Boublik T et al; The Vapour Pressures of Pure Substances. Vol 17. Amsterdam, Netherlands: Elsevier Sci Publ (1984)

Acetonitrile has a reported measured Koc Value of 2.2(1). According to a classification scheme(2), this Koc value suggests that acetonitrile is expected to have very high mobility in soil(SRC).
Literature: (1) Chu W, Chan KH; Sci Total Environ 248: 1-10 (2000) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

hydrogen cyanide

hydrocyanic acid

Formonitrile

Prussic acid

Cyanwasserstoff

Blausaeure

Formic anammonide

Zaclondiscoids

Evercyn

Cyclon

74-90-8

Cyclone B

Aero Liquid HCN

Agent AC

Cyaanwaterstof

Blauwzuur

Cyjanowodor

Acido cianidrico

Acide cyanhydrique

methanenitrile

Caswell No. 483

Hydrogen cyanide [ISO]

hydridonitridocarbon

RCRA waste number P063

Blausaeure [German]

Carbon hydride nitride (CHN)

HSDB 165

HCN

UN 1051

hydrogen(nitridocarbonate)

EINECS 200-821-6

[CHN]

UNII-2WTB3V159F

AC [Cyanide]

EPA Pesticide Chemical Code 045801

AI3-31100-X

BRN 1718793

2WTB3V159F

143334-20-7

CHEBI:18407

Acide cyanhydrique [ISO-French]

Carbon nitride (C3N4)

HYDROCYANICUM ACIDUM

Zyklon B

CHEMBL183419

DTXSID9024148

EC 200-821-6

AC (CHEMICAL WARFARE AGENT)

AC (Cyanide)

Blausaeure (German)

(CHN)

Blauwzuur [Dutch]

Cyjanowodor [Polish]

Acide cyanhydrique (ISO-French)

Cyaanwaterstof [Dutch]

Cyanwasserstoff [German]

Acido cianidrico [Italian]

Acid, Hydrocyanic

Cyanide, Hydrogen

Acide cyanhydrique [French]

Graphitic Carbon Nitride

NA1613

UN1051

UN1613

UN1614

UN3294

RCRA waste no. P063

Zootic acid

Nitrilomethane #

Prussic acid, anhydrous, stabilized

Carbon hydride nitride

Hydrocyanic acid, anhydrous, stabilized

Hydrogen cyanide, anhydrous, stabilized

Prussic acid, unstabilized

UN 1613 (Salt/Mix)

UN 1614 (Salt/Mix)

HYDROGEN CYANIDE [MI]

Hydrocyanic acid (prussic), unstabilized [Forbidden]

DTXCID004148

HYDROGEN CYANIDE [HSDB]

HYDROGEN CYANIDE [WHO-DD]

HYDROCYANICUM ACIDUM [HPUS]

BDBM50152968

Hydrocyanic acid, anhydrous, stabilized, absorbed in a porous inert material

Hydrogen cyanide, anhydrous, stabilized, absorbed in a porous inert material

Prussic acid, anhydrous, stabilized, absorbed in a porous inert material

NA 1051

Hydrocyanic acid (prussic), unstabilized

CHN

Hydrogen cyanide, stabilized with <3% water

NS00077168

C01326

Q3416481

Graphitic carbon nitride, 99%, length: 1 - 10 mum

hydridonitridocarbonhydrogen(nitridocarbonate)methanenitrile

Hydrogen cyanide, stabilized with <3% water [UN1051] [Poison]

Hydrogen cyanide, stabilized, with <3% water and absorbed in a porous inert material

Hydrogen cyanide, stabilized, with <3% water and absorbed in a porous inert material [UN1614] [Poison]

Volatilization is expected to be the dominant fate process for hydrogen cyanide(1). A pKa of 9.2(2) indicates hydrogen cyanide will exist partially in the anion form at pH values of 5 to 9(SRC). At pH <9.2, most of the free cyanide should exist as hydrogen cyanide, a volatile form of cyanide. Wide variations in the rate of volatilization are expected since this process is affected by a number of parameters including temperature, pH, wind speed, and cyanide concentration(1). The Henry's Law constant for the neutral species is 1.33X10-4 atm-cu m/mole(3). This Henry's Law constant indicates that hydrogen cyanide is expected to volatilize from water surfaces(4). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(4) is estimated as 5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(4) is estimated as 3 days(SRC). Hydrogen cyanide's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Hydrogen cyanide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 742 mm Hg(5).

The Koc of hydrogen cyanide is estimated as 15(SRC), using a log Kow of -0.25(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that hydrogen cyanide is expected to have very high mobility in soil. The pKa of hydrogen cyanide is 9.2(4), indicating that this compound will exist partially in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).

2-(benzyloxy)benzonitrile

74511-44-7

2-phenylmethoxybenzonitrile

2-Benzyloxybenzonitrile

benzyloxybenzonitrile

2-Benzyloxy-benzonitrile

SCHEMBL448079

AMY4675

DTXSID40366394

CHROPCMKBZZQJH-UHFFFAOYSA-N

HMS1599N18

ZCA51144

AKOS000262104

MCULE-2711488568

NCGC00327439-01

BS-25967

DB-087883

CS-0204804

EN300-30996

AB01256223-03

A856583

SR-01000301408

SR-01000301408-1

Z25634684

Tetraacetyl-d-xylonic nitrile

UJBBVYYPLDKALG-UHFFFAOYSA-N

2-Methylmalononitrile

2-methylpropanedinitrile

3696-36-4

Methylmalononitrile

1,1-Dicyanoethane

Methylpropanedinitrile

MALONONITRILE, METHYL-

Propanedinitrile, methyl-

Methyl-malonitril

Methyl-malonitril [German]

BRN 1737753

Dicyanoethane

2-Methylmalononitril

2-Methylmalononitrile #

DTXSID00958138

MFCD01715963

AKOS010958701

CS-0263861

EN300-90389

3-02-00-01684 (Beilstein Handbook Reference)

F8887-5827

Z844634884

Terephthalonitrile

1,4-Dicyanobenzene

623-26-7

1,4-BENZENEDICARBONITRILE

benzene-1,4-dicarbonitrile

p-Dicyanobenzene

p-Phthalodinitrile

4-Cyanobenzonitrile

1,4-Benzodinitrile

p-Benzenedinitrile

Terephthalodinitrile

p-Pdn

Terephthalic acid dinitrile

Tereftalodinitril

Nitril kyseliny tereftalove

MFCD00001810

E6ITH5CIS3

NSC-78439

NSC-144977

WLN: NCR DCN

Tereftalonitril

Tereftalonitril [Czech]

p-Phthalonitrile

Tereftalodinitril [Czech]

Terephthalodinitril

para-dicyanobenzene

MFCD30146480

Terephthalodinitril [German]

1,4-Benzendikarbonitril [Czech]

1,4-Benzendikarbonitril

Nitril kyseliny tereftalove [Czech]

EINECS 210-783-2

NSC 78439

NSC 144977

p-Cyanobenzonitrile

3-myristyloxypropylamine

UNII-E6ITH5CIS3

benzol-1,4-dikohlenitrile

SCHEMBL45942

1,4-Dicyanobenzene, 98%

YSWG236

P-BENZENEDICARBONITRILE

DICYANOBENZENE, 1,4-

1,4-BIS(CYANO)BENZENE

CHEMBL3248224

DTXSID1060768

BHXFKXOIODIUJO-UHFFFAOYSA-

alpha form of 1,4-Dicyanobenzene

AMY18055

NSC78439

AC7870

NSC144977

AKOS007930310

GS-3039

MCULE-1418167972

SY012900

SY099340

DB-030395

A8613

CS-0016004

NS00035007

T0016

EN300-112010

Terephthalonitrile, Vetec(TM) reagent grade, 98%

InChI=1/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H

33411-58-4

m-Tolunitrile

3-METHYLBENZONITRILE

620-22-4

3-Cyanotoluene

Benzonitrile, 3-methyl-

m-Cyanotoluene

3-Tolunitrile

m-Toluonitrile

m-Toluenenitrile

m-Methylbenzonitrile

m-Tolylnitrile

m-Tolynitrile

1-Methyl-3-cyanobenzene

3-Toluenkarbonitril

Nitril kyseliny m-toluylove

NSC 75453

3-methyl-benzonitrile

AH2J4VY1AK

MTN

DTXSID6026167

MFCD00001808

NSC-75453

3-methylbenzenecarbonitrile

3-Toluenkarbonitril [Czech]

CCRIS 4736

Nitril kyseliny m-toluylove (czech)

EINECS 210-631-5

AI3-17129

meta-Tolunitrile

m-Tolunitrile, 99%

META TOLUNITRILE

3-TOLYL CYANIDE

TOLUNITRILE, M-

UNII-AH2J4VY1AK

WLN: NCR C1

SCHEMBL12865

MLS002415748

DTXCID406167

CHEMBL1229944

DTXSID601031444

HMS3039A08

NSC75453

STR01636

Tox21_200853

AKOS000121444

MCULE-2191617870

NCGC00091818-01

NCGC00091818-02

NCGC00258407-01

AC-16981

CAS-620-22-4

SMR001370911

DB-054043

AM20050191

NS00022520

T0305

EN300-21216

A833542

W-105055

Q27453019

F0001-1651

InChI=1/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H

2HT

61142-85-6

4-Benzoylbenzonitrile

4-Cyanobenzophenone

1503-49-7

Benzonitrile, 4-benzoyl-

4-benzoyl-benzonitrile

MFCD00016382

Benzonitrile,4-benzoyl-

p-Cyanobenzophenone

EINECS 216-126-6

4-Cyano-benzophenon

p-Benzoylbenzonitrile

4-Cyano-benzophenone

4-Benzoylbenzonitrile #

Benzonitrile, p-benzoyl-

p-Cyanophenyl phenyl ketone

4-Cyanobenzophenone, 97%

4-cyanophenyl phenyl ketone

VD6QK8C72H

(4-Cyanophenyl)phenylmethanone

SCHEMBL3215328

DTXSID40164514

AKOS015916254

MCULE-9191324141

RS-1016

SY013985

DB-043050

CS-0156560

NS00024915

C72859

J-008689

InChI=1/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9

4-O-Acetyl-2,5-di-O-methyl-3,6-dideoxy-d-gluconitrile

UIOZESJFWPMERW-UHFFFAOYSA-N

3-cyanopyridine

Nicotinonitrile

100-54-9

3-PYRIDINECARBONITRILE

pyridine-3-carbonitrile

Nicotinic acid nitrile

3-Pyridinenitrile

3-Pyridylcarbonitrile

3-Azabenzonitrile

3-Cyjanopirydyna

Nitryl kwasu nikotynowego

NSC 17558

DTXSID1026665

CHEBI:86556

MFCD00006372

NSC-17558

X64V0K6260

DTXCID606665

3-Cyjanopirydyna [Polish]

CAS-100-54-9

HSDB 5335

3-Pyridinecarboxylic acid, nitrile

Nitryl kwasu nikotynowego [Polish]

EINECS 202-863-0

BRN 0107711

AI3-15766

UNII-X64V0K6260

3-cyano pyridine

3-Pyridyl cyanide

PncA Inhibitor, 5

Pyridine, 3-cyano-

bmse000622

EC 202-863-0

SCHEMBL28776

5-22-02-00115 (Beilstein Handbook Reference)

Nicotinamidase Inhibitor, 23

3-Pyridinecarbonitrile, 98%

CHEMBL3181972

BDBM92856

NSC17558

Tox21_201669

Tox21_300354

BBL037217

STK046164

3-PYRIDINECARBONITRILE [HSDB]

AKOS000119616

3-Pyridinecarbonitrile; Nicotinonitrile

AC-2424

AM81277

FG-0468

MCULE-9131126037

SB52234

NCGC00248004-01

NCGC00248004-02

NCGC00254450-01

NCGC00259218-01

DB-023674

CS-0003918

NS00008250

EN300-18318

P19604

AC-907/25014098

W-108955

Q18730591

Z57899719

F2108-0102

6C16C9E3-90DC-4565-9F55-F6CC5D13CC33

InChI=1/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5

The Henry's Law constant for 3-pyridinecarbonitrile is 2.74X10-7 atm-cu m/mole(1). This Henry's Law constant indicates that 3-pyridinecarbonitrile is not expected to volatilize from water and moist soil surfaces(2). 3-Pyridinecarbonitrile is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.296 mm Hg(3).

The Koc of 3-pyridinecarbonitrile is estimated as 37(SRC), using a measured log Kow of 0.36(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3-pyridinecarbonitrile is expected to have very high mobility in soil(SRC).

BENZONITRILE

100-47-0

Cyanobenzene

Phenyl cyanide

Benzenenitrile

Benzoic acid nitrile

Benzene, cyano-

Benzenecarbonitrile

Phenylcyanide

Fenylkyanid

benzonitril

Fenylkyanid [Czech]

NSC 8039

HSDB 45

CCRIS 3184

AI3-24184

UNII-9V9APP5H5S

EINECS 202-855-7

9V9APP5H5S

UN2224

C6H5-CN

DTXSID7021491

CHEBI:27991

NSC-8039

DTXCID001491

EC 202-855-7

Benzonitrile [UN2224] [Poison]

MFCD00001770

CAS-100-47-0

benzo nitrile

4-cyanobenzene

benzonitrile solvent

WLN: NCR

BENZONITRILE [MI]

bmse000284

BENZONITRILE [HSDB]

SCHEMBL6640

MLS002454387

CHEMBL15819

NSC8039

Benzonitrile, anhydrous, >=99%

HMS3039F17

Benzonitrile, for HPLC, 99.9%

Tox21_201982

Tox21_302979

Benzonitrile, ReagentPlus(R), 99%

STK398186

AKOS000120125

AM10697

MCULE-9371683291

UN 2224

NCGC00091747-01

NCGC00091747-02

NCGC00256387-01

NCGC00259531-01

LS-13256

SMR001372003

B0082

NS00010846

EN300-19362

C09814

Q412567

J-000140

F1908-0163

Z104473628

The Henry's Law constant for benzonitrile is estimated as 5.21X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.768 mm Hg(1), and water solubility of 2000 mg/L(2). This Henry's Law constant indicates that benzonitrile is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 20 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 9 days(SRC). Benzonitrile's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzonitrile is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Riddick JA et al; Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons (1985) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

The Koc of benzonitrile is estimated as 150(SRC), using a log Kow of 1.56(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that benzonitrile is expected to have moderate mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 27 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Sept 15, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Phenylacetonitrile

Benzeneacetonitrile

2-Phenylacetonitrile

BENZYL CYANIDE

140-29-4

alpha-Tolunitrile

Benzyl nitrile

alpha-Cyanotoluene

(Cyanomethyl)benzene

Phenyl acetyl nitrile

Benzylnitrile

Acetonitrile, phenyl-

benzylcyanide

Benzylkyanid

Phenyl-acetonitrile

USAF KF-21

Toluene, alpha-cyano-

Acetic acid, phenyl-nitrile

2-phenylethanenitrile

.omega.-Cyanotoluene

CCRIS 4698

NSC 118418

Phenacetonitrile

HSDB 2103

Phenylacetonitrile, liquid

omega-Cyanotoluene

EINECS 205-410-5

.alpha.-Tolunitrile

UNII-23G40PRP93

.alpha.-Cyanotoluene

2-phenyl-acetonitrile

DTXSID2021492

AI3-04975

23G40PRP93

Toluene, .alpha.-cyano-

NSC-118418

BENZYL CYANIDE-13C

DTXCID401492

CHEBI:25979

BENZYL-ALPHA-13C CYANIDE

EC 205-410-5

MFCD00001894

PHENYLACETONITRILE-2,2-D2

BENZYL-D7 CYANIDE, 98 ATOM % D

WLN: NC1R

Benzylkyanid [Czech]

TRIAMTERENE IMPURITY D (EP IMPURITY)

TRIAMTERENE IMPURITY D [EP IMPURITY]

UN2470

enzylcyanide

phenylacetonitile

phenylacteonitrile

Cyanophenylmethane

alpha -cyano-

alpha -tolunitrile

phenyl acetonitrile

BnCN

alpha -cyanotoluene

benzene acetonitrile

benzene-acetonitrile

alpha-Cyano-Toluene

Ethyl2-Fluoroacrylate

alpha-phenylacetonitrile

Benzyl cyanide, 98%

Toluene, alpha -cyano-

Benzeneacetonitrile, 9CI

Benzyl cyanide, >=99%

Phenylacetonitrile, liquid [UN2470] [Poison]

BENZYL CYANIDE [MI]

SCHEMBL37831

BENZYL CYANIDE [HSDB]

laquo Omegaraquo -cyanotoluene

CHEMBL3560735

NSC3407

Benzyl cyanide, analytical standard

NSC-3407

Phenylacetonitrile (Benzyl Cyanide)

Tox21_200217

NSC118418

STL199233

AKOS000118943

MCULE-3500109780

UN 2470

NCGC00090854-01

NCGC00090854-02

NCGC00257771-01

CAS-140-29-4

DB-004016

NS00009919

P0128

Phenylacetonitrile, liquid [UN2470] [Poison]

A807640

Q425620

J-519675

InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H

The Henry's Law constant for benzyl cyanide is estimated as 1.4X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 8.9X10-2 mm Hg(1), and water solubility, 100 mg/L(2). This Henry's Law constant indicates that benzyl cyanide is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 5.7 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 6.4 days(SRC). Benzyl cyanide's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzyl cyanide is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) O'Neil MJ, ed; The Merck Index. 13th ed Whitehouse Station, NJ: Merck and Co., Inc., p.194 (2001) (2) Chemicals Inspection and Testing Institute; Biodegradation and bioaccumulation data of existing chemicals based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

The Koc of benzyl cyanide is estimated as 170(SRC), using a log Kow of 1.56(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that benzyl cyanide is expected to have moderate mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 39 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)