Results for:
PubChem ID: 6115

Compound Details

Synonymous names
Benzenamine,diazotized,coupledwithDyer'smulberryextract
Benzenamine,diazotized,coupledwithaniline,condensationproducts
DIANILINIUM HYDROGEN PHOSPHONATE
Phenyleneamine
Aminobenzene
benzenaminium
Benzeneamine
Benzenamine
Krystallin
Phenylamine
Aminophen
Anilinum
Arylamine
Benzamine
Benzidam
D'aniline
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
Anilin
Anilina
ANILINE
Aniline reagent
Anyvim
Cyanol
Huile D'aniline
Kyanol
Aniline and homologues
Aniline and homologs
Aniline oil
ANL
phenyl amine
phenyl-amine
Aniline, analytical standard
AC1Q1HGK
Blue Oil
Aniline oil, phenylamine
Benzene, amino
ANILINE, ACS
CHEMBL538
SIR7XX2F1K
AC1L1LU6
ACMC-1AZO2
UNII-SIR7XX2F1K
AC1Q528I
Benzene, amino-
CCRIS 44
HSDB 43
Huile d'aniline [French]
KSC178M0R
S667
Anilin [Czech]
Benzene,amino (aniline)
CI Oxidation Base 1
UN1547
A0463
BDBM92572
DSSTox_CID_90
HMDB03012
Aniline (and salts)
BIDD:ER0581
DB06728
LS-270
RP18568
STR00216
Anilina [Italian, Polish]
C00292
nchembio.257-comp9
Rcra waste number U012
AK110130
Aniline, PESTANAL(R), analytical standard
Aniline, United States Pharmacopeia (USP) Reference Standard
BENZENE,AMINO (ANILINE)
DTXSID8020090
OR033948
OR108779
OR232570
OR250454
OR280906
OR306800
OR306801
STK301792
UN 1547
A833829
Aniline(S#299)-Liq
CHEBI:17296
NCI-C03736
AJ-70174
AN-23725
BP-12047
Caswell No. 051C
CI 76000
CJ-15802
DSSTox_GSID_20090
MO 08492
ANILINE (13C6)
Aniline, AR, >=99%
Aniline, LR, >=99%
DSSTox_RID_75359
MFCD00007629
ZINC17886255
AI3-03053
C.I. Oxidation Base 1
DB-013441
KB-250667
RTR-002007
AKOS000268796
EPA Pesticide Chemical Code 251400
Epitope ID:117704
J-519591
RCRA waste no. U012
FT-0622394
62-53-3
Aniline, ReagentPlus(R), 99%
I01-10413
Tox21_200345
Aniline, ACS reagent, >=99.5%
BENZENAMINE, MAGNESIUM SALT (2:1)
F2190-0417
C.I. 76000
CAS-62-53-3
Aniline, 99% 100g
Aniline, JIS special grade, >=99.0%
MCULE-9347486445
NCGC00091297-01
NCGC00091297-02
NCGC00091297-03
NCGC00257899-01
Aniline, SAJ first grade, >=99.0%
EINECS 200-539-3
37342-16-8
91782-30-8
97862-10-7
Aniline [UN1547] [Poison]
EC 200-539-3
SR-01000944923
142-04-1 (hydrochloride)
146997-94-6
542-11-0 (hydrobromide)
9622-EP2269990A1
9622-EP2270011A1
9622-EP2272817A1
9622-EP2272822A1
9622-EP2272849A1
9622-EP2275102A1
9622-EP2275403A1
9622-EP2275413A1
9622-EP2276085A1
9622-EP2277865A1
9622-EP2277880A1
9622-EP2277881A1
9622-EP2279750A1
9622-EP2280001A1
9622-EP2280004A1
9622-EP2280005A1
9622-EP2280012A2
9622-EP2280020A1
9622-EP2280021A1
9622-EP2281817A1
9622-EP2281818A1
9622-EP2284157A1
9622-EP2284161A1
9622-EP2284174A1
9622-EP2284920A1
9622-EP2287152A2
9622-EP2287156A1
9622-EP2289884A1
9622-EP2289893A1
9622-EP2289894A2
9622-EP2292593A2
9622-EP2292597A1
9622-EP2292610A1
9622-EP2295053A1
9622-EP2295402A2
9622-EP2295409A1
9622-EP2295411A1
9622-EP2295418A1
9622-EP2295421A1
9622-EP2295429A1
9622-EP2295439A1
9622-EP2295503A1
9622-EP2298312A1
9622-EP2298743A1
9622-EP2298749A1
9622-EP2298768A1
9622-EP2298770A1
9622-EP2298776A1
9622-EP2298828A1
9622-EP2301920A1
9622-EP2301923A1
9622-EP2301928A1
9622-EP2301930A1
9622-EP2301939A1
9622-EP2301983A1
9622-EP2302132A1
9622-EP2305652A2
9622-EP2305687A1
9622-EP2305769A2
9622-EP2305808A1
9622-EP2308833A2
9622-EP2308839A1
9622-EP2308840A1
9622-EP2308848A1
9622-EP2308851A1
9622-EP2308858A1
9622-EP2308861A1
9622-EP2308872A1
9622-EP2308873A1
9622-EP2308877A1
9622-EP2308880A1
9622-EP2311802A1
9622-EP2311803A1
9622-EP2311804A2
9622-EP2311806A2
9622-EP2311807A1
9622-EP2311808A1
9622-EP2311816A1
9622-EP2311817A1
9622-EP2311818A1
9622-EP2311825A1
9622-EP2311829A1
9622-EP2311830A1
9622-EP2314558A1
9622-EP2314576A1
9622-EP2314590A1
9622-EP2314593A1
9622-EP2315502A1
9622-EP2316452A1
9622-EP2316829A1
9622-EP2316831A1
9622-EP2371810A1
9622-EP2371812A1
9622-EP2372804A1
9622-EP2378585A1
Aniline, ASTM, ACS reagent, 99.5%
MolPort-000-871-542
12588-EP2272517A1
12588-EP2272813A2
12588-EP2275395A2
12588-EP2275409A1
12588-EP2275469A1
12588-EP2276085A1
12588-EP2284920A1
12588-EP2287940A1
12588-EP2289965A1
12588-EP2292586A2
12588-EP2292601A1
12588-EP2292602A1
12588-EP2292603A1
12588-EP2292618A1
12588-EP2293650A1
12588-EP2295402A2
12588-EP2295421A1
12588-EP2298729A1
12588-EP2298737A1
12588-EP2298739A1
12588-EP2298740A1
12588-EP2298741A1
12588-EP2298771A2
12588-EP2298828A1
12588-EP2299509A1
12588-EP2299510A1
12588-EP2301920A1
12588-EP2301936A1
12588-EP2301983A1
12588-EP2305769A2
12588-EP2308926A1
12588-EP2309564A1
12588-EP2311825A1
12588-EP2311826A2
12588-EP2314558A1
12588-EP2315502A1
12588-EP2316831A1
12588-EP2371810A1
12588-EP2371812A1
12588-EP2371813A1
12588-EP2372804A1
12588-EP2378585A1
2424-53-5 (monosulfate)
542-15-4 (nitrate)
85560-EP2281861A2
85560-EP2298749A1
85560-EP2305657A2
Aniline [UN1547] [Poison]
147630-EP2289877A1
45497-73-2 (hydriodide)
ANILINE (SEE ALSO ANILINE HYDROCHOLORIDE 142-04-1)
SR-01000944923-1
20305-50-4 (sulfate)
ANILINE- 2,3,4,5,6-D5
Aniline, p.a., ACS reagent, 99.0%
542-16-5 (sulfate [2:1])
53894-37-4 (magnesium[1:1] salt)
33921-12-9 (phosphonate [1:1])
17843-02-6 (phosphate [2:1])
37832-42-1 (phosphate [1:1])
InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H
Microorganism:

Yes

IUPAC nameaniline
SMILESC1=CC=C(C=C1)N
InchiInChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
FormulaC6H7N
PubChem ID6115
Molweight93.129
LogP1.14
Atoms14
Bonds14
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAmines benzenoids

mVOC Specific Details

Volatilization
The measured Henry's Law constant for aniline is 2.02X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that aniline 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 days(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 131 days(SRC). Aniline's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Aniline is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.67 mm Hg(3).
Literature: (1) Jayasinghe DS et al; Environ Sci Technol 26: 2275-81 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis, (2002)
Soil Adsorption
Primary anilines may bind to soils due to the ability of the aromatic amino group to form covalent bonds with humic and fulvic material in soils(1). The Koc of aniline in 5 European soils was reported in the range of 43.8-497.7(2). The Koc values in 2 silt loams were 130 and 410 with the higher value occurring in the more acidic soil(3). The Koc of aniline in colloidal organic carbon from groundwater (pH 6.5) was reported as 3,870(4). The adsorption constant for adsorption to H-montmorillonite (pH 8.35) and Na-montmorillonite (pH 6.8) is 1,300 and 130(5). The Koc of aniline in 3 silt-clay loams were 269 (pH 4.4), 48 (pH 6.5) and 16 (pH 7.2)(6). A mean Koc value of 55 was determined for aniline in 4 sewage sludges(7). The Koc in five second-generation reference EUROSOILS was 8, 32, 19, 27 and 137(8). According to a classification scheme(9), this Koc data suggests that aniline may have very high to medium mobility in soil. The pKa of aniline is 4.60(10, indicating that this compound will partially exist in the protonated (cation) form; however, in the pH range between pH5 and pH9, aniline will exist primarily in the non-protonated form; in the protonated form in the environment, cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(11). In a sorption study using pond sediment from Cherokee Park pond in Athens GA, the sorption kinetics of aniline were characterized by a rapid initial loss of aniline from the aqueous phase followed by a much slower rate of disappearance. The initial sorption was a reversible cation-exchange followed by a slower covalent-binding. It was shown that at pH values greater than the pKa, sorption kinetics were slower than at pH3.75 (rate constants of 4.53-7.95/hr above versus 13.3 below)(12).
Literature: (1) Adrian P et al; Chemosphere 18: 1599-1609 (1989) (2) Gawlik BM et al; Chemosphere 36: 2903-19 (1998) (3) Pillai P et al; Chemosphere 11: 299-317 (1982) (4) Means JC; Amer Chem Soc 186th Natl Mtg 23: 250-1 (1982) (5) Bailey GW et al; Soil Sci Soc Amer Proc 32: 222-34 (1968) (6) Lee LS et al; Environ Toxicol Chem 16: 1575-82 (1997) (7) Kordel W et al; Chemosphere 35: 107-19 (1997) (8) Gawlik BM et al; Chemosphere 41: 1337-47 (2000) (9) Swann RL et al; Res Rev 85: 17-28 (1983) (10) Perrin DD; Dissociation Constants of Organic Bases in Aqueous Solution. IUPAC Chem Data Series. Suppl. London Buttersworth (1972) (11) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (12) Weber EJ et al; Environ Sci Technol 35: 2470-75 (2001)
Literature: #Under short-term conditions (24-hr), the sorption of aniline in a silty clay soil was not solely dependent on cation exchange and that solubility was a consideration(1); passing rainwater through a soil column had no effect on the sorption to the silty clay soil(1). Using four Indiana soils and one Iowa soil, abiotic loss of aniline from the aqueous phase to the soil phase occurred with an initial rapid loss due to reversible mass transfer processes followed by a slow loss due to irreversible reactions(2).
Literature: (1) Donaldson FP, Nyman MC; Chemosphere 65: 854-62 (2006) (2) Fabrega-Duque JR et al; Environ Sci Technol 34: 1687-93 (2000)
Vapor Pressure
PressureReference
6.67X10-1 mm Hg at 25 deg CDaubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis, 2002.
MS-Links
MS-MS Spectrum 226076
MS-MS Spectrum 5818 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Positive
MS-MS Spectrum 5824 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Positive
MS-MS Spectrum 5816 - EI-B (HITACHI RMU-6L) Positive
MS-MS Spectrum 2182 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 226073
MS-MS Spectrum 2183 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 226080
MS-MS Spectrum 5827 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive
MS-MS Spectrum 5823 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Positive
MS-MS Spectrum 5825 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Positive
MS-MS Spectrum 5819 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Positive
MS-MS Spectrum 5815 - EI-B (HITACHI RMU-7M) Positive
MS-MS Spectrum 226074
MS-MS Spectrum 226075
MS-MS Spectrum 226077
MS-MS Spectrum 226078
MS-MS Spectrum 5820 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Positive
MS-MS Spectrum 5817 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Positive
MS-MS Spectrum 226079
MS-MS Spectrum 2184 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 5822 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Positive
MS-MS Spectrum 5821 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Positive
MS-MS Spectrum 5828 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V Positive
MS-MS Spectrum 5826 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Positive
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Tolaasiinaisolated from Agaricus bisporusPark et al., 1994
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Tolaasiinasilica gel chromatographie, MS, NMR