Results for:
chemical Classification: nitro compounds

2-chloro-2-nitropropane

Compound Details

Synonymous names

JQYFSFNSNVRUPY-UHFFFAOYSA-N

AC1L1XVF

2-CHLORO-2-NITROPROPANE

7043AF

NSC3642

47BO4I4HL2

WLN: WNXG1&1

CTK5B0008

CHEMBL442666

HSDB 1407

UNII-47BO4I4HL2

HMS3039H15

CCRIS 5998

SCHEMBL6703204

OR032132

DTXSID7024798

NSC-3642

NSC 3642

2-chloro-2-nitro-propane

LS-1421

DSSTox_CID_4798

ZINC1666915

CJ-27008

DSSTox_GSID_24798

KB-22058

DSSTox_RID_77536

AI3-15635

Propane,2-chloro-2-nitro-

AKOS006272595

FT-0691607

MLS002454363

SMR001371987

Propane, 2-chloro-2-nitro-

Tox21_200336

594-71-8

NCGC00257890-01

NCGC00090815-02

NCGC00090815-01

MCULE-9123451241

EINECS 209-853-5

CAS-594-71-8

Microorganism:

Yes

IUPAC name

2-chloro-2-nitropropane

SMILES

CC(C)([N+](=O)[O-])Cl

Inchi

InChI=1S/C3H6ClNO2/c1-3(2,4)5(6)7/h1-2H3

Formula

C₃H₆ClNO₂

PubChem ID

11673

Molweight

123.54

LogP

1.12

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

nitro compounds nitrogen containing compounds halogenated compounds

mVOC Specific Details

Vapor Pressure

Pressure	Reference
8.5 MM HG @ 25 DEG C	Patty, F. (ed.). Industrial Hygiene and Toxicology: Volume II: Toxicology. 2nd ed. New York: Interscience Publishers, 1963., p. 2080

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Ralstonia Solanacearum	na	na	Spraker et al., 2014

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Ralstonia Solanacearum	Casamino Acid Peptone Glucose agar	SPME-GC/MS	No

2-methyl-1-nitropropane

Compound Details

Synonymous names

XFXRMDNWSGXSNJ-UHFFFAOYSA-N

1-Nitroisobutane

AC1L2BPK

AC1Q21SH

1-Nitro-2-methylpropane

2-Methyl-1-nitropropane

2-Methyl-3-nitropropane

NSC3660

CTK5B5326

2-methyl-1-nitro-propane

SCHEMBL1170344

OR281693

OR111228

NSC-3660

ZINC1666939

(CH3)2CHCH2NO2

DTXSID90211547

KB-173588

TX-012982

AKOS006238345

I14-14887

Propane, 2-methyl-1-nitro-

625-74-1

InChI=1/C4H9NO2/c1-4(2)3-5(6)7/h4H,3H2,1-2H

Microorganism:

Yes

IUPAC name

2-methyl-1-nitropropane

SMILES

CC(C)C[N+](=O)[O-]

Inchi

InChI=1S/C4H9NO2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3

Formula

C₄H₉NO₂

PubChem ID

69367

Molweight

103.121

LogP

1.27

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

nitro compounds nitrogen containing compounds

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Ralstonia Solanacearum	na	na	Spraker et al., 2014
Fungi	Aspergillus Flavus	na	na	Spraker et al., 2014

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Ralstonia Solanacearum	Casamino Acid Peptone Glucose agar	SPME-GC/MS	No
Fungi	Aspergillus Flavus	glucose minimal medium	SPME-GC/MS	No

2-nitrocyclooctan-1-one

Compound Details

Synonymous names

2-Nitrocyclooctanone

SCHEMBL10953888

Microorganism:

Yes

IUPAC name

2-nitrocyclooctan-1-one

SMILES

C1CCCC(=O)C(CC1)[N+](=O)[O-]

Inchi

InChI=1S/C8H13NO3/c10-8-6-4-2-1-3-5-7(8)9(11)12/h7H,1-6H2

Formula

C₈H₁₃NO₃

PubChem ID

10975936

Molweight

171.196

LogP

2.05

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Ketones nitro compounds nitrogen compounds

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Pleurotus Ostreatus	na	na	Ã‡aÄŸlarÄ±rmak et al., 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Pleurotus Ostreatus	na	GC/MS	No

2-methoxy-4-nitrophenol

Mass-Spectra

Compound Details

Synonymous names

Mononitro guaiacol

IZLVFLOBTPURLP-UHFFFAOYSA-N

4-Nitrogualacol

4-Nitroguaiacol

o-Methoxy-p-nitrophenol

4-Hydroxy-3-methoxynitrobenzene

AC1L2RK7

41ITO2N6UT

KSC493C3R

Q242

AC1Q469Z

4-nitro-2-methoxyphenol

2-hydroxy-5-nitroanisole

UNII-41ITO2N6UT

3-Nitro-6-hydroxyanisole

PubChem16519

ACMC-209htq

2-Methoxy-4-nitrophenol

N0892

CTK3J3138

ACT09326

NSC26149

RP23144

SCHEMBL221924

VZ24851

C17386

OR012877

BC652187

FR-0763

Jsp005999

DTXSID4062935

DS-2084

SBB008019

2-methoxy-4-nitro-phenol

4-Nitroguaiacol, 97%

SY004543

STL412107

AM808244

Guaiacol, 4-nitro-

M-7535

CHEBI:81050

AC-10540

CJ-18866

WLN: WNR DQ CO1

NSC 26149

NSC-26149

KB-24897

TRA0015898

ST2410078

ANW-27372

AN-13062

SC-19550

GEO-02006

AJ-92377

AK-29154

ZINC36072255

Phenol, o-methoxy-p-nitro-

MFCD00012143

ACN-S003451

LS-104776

TR-036481

TL80090682

AI3-19856

ST50405254

ST45027538

RTR-036481

DB-006178

CS-W005249

W-106838

I01-0980

AKOS000282908

BRN 1868796

4CH-014277

FT-0080598

FT-0600609

FT-0619233

EN300-49148

Phenol, 2-methoxy-4-nitro-

Z1245633345

MCULE-7241123894

3251-56-7

EINECS 221-839-0

MolPort-002-461-928

71551-EP2308833A2

71551-EP2298776A1

4-06-00-05627 (Beilstein Handbook Reference)

InChI=1/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H

Microorganism:

Yes

IUPAC name

2-methoxy-4-nitrophenol

SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])O

Inchi

InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3

Formula

C₇H₇NO₄

PubChem ID

76738

Molweight

169.136

LogP

1.45

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

nitro compounds ethers alcohols benzenoids

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Pseudomonas Simiae AU	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al., 2016

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Pseudomonas Simiae AU	Nutrient broth; King's B agar	GC/MS	No

N-[2-[acetyl(nitro)amino]ethyl]-N-nitroacetamide

Compound Details

Synonymous names

QYYIAMKTNITMRW-UHFFFAOYSA-N

AC1L21XI

N,N'-Ethylenebis(N-nitroacetamide)

LS-9545

N,N'-dinitro-N,N'-ethanediyl-bis-acetamide

Ambcb5126898

ZINC2040184

DTXSID80238925

ACETAMIDE, N,N'-ETHYLENEBIS(N-NITRO-

ZINC02040184

BRN 1801754

922-89-4

MCULE-8408988846

N-[2-[acetyl(nitro)amino]ethyl]-N-nitroacetamide

3-04-00-00547 (Beilstein Handbook Reference)

Microorganism:

Yes

IUPAC name

N-[2-[acetyl(nitro)amino]ethyl]-N-nitroacetamide

SMILES

CC(=O)N(CCN(C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Inchi

InChI=1S/C6H10N4O6/c1-5(11)7(9(13)14)3-4-8(6(2)12)10(15)16/h3-4H2,1-2H3

Formula

C₆H₁₀N₄O₆

PubChem ID

13537

Molweight

234.168

LogP

-4.22

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Amides nitrogen compounds nitro compounds

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Ralstonia Solanacearum	na	na	Spraker et al., 2014

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Ralstonia Solanacearum	Casamino Acid Peptone Glucose agar	SPME-GC/MS	No

Results for: chemical Classification: nitro compounds

2-chloro-2-nitropropane

Compound Details

mVOC Specific Details

2-methyl-1-nitropropane

Compound Details

mVOC Specific Details

2-nitrocyclooctan-1-one

Compound Details

mVOC Specific Details

2-methoxy-4-nitrophenol

Compound Details

mVOC Specific Details

N-[2-[acetyl(nitro)amino]ethyl]-N-nitroacetamide

Compound Details

mVOC Specific Details

Results for:
chemical Classification: nitro compounds