Results for:
PubChem ID: 7814

Benzene-1,4-diamine

Mass-Spectra

Compound Details

Synonymous names
Paraphenylenediamine
Fenylenodwuamina
para-phenylenediamine
paraphenylene diamine
paraphenylene-diamine
Paraphenylen-diamine
CBCKQZAAMUWICA-UHFFFAOYSA-N
p-Phenylenediamine
p-Benzenediamine
p-Diaminobenzene
p-Fenylendiamin
p-Phenyldiamine
4-aminophenylamine
4-Phenylenediamine
Orsin
p-Aminoaniline
p-phenylenediamine base
PARA PHENYLENE DIAMINE
Phenylenediamine, para
Aminogen II
Developer PF
Fouramine D
Futramine D
JAROCOL PPD
Santoflex IC
Santoflex LC
4-Aminoaniline
Benzofur D
Fourrine D
Fur Yellow
P-PHENYLENE DIAMINE
p-phenylene-diamine
Pelagol D
Pelagol DR
Tertral D
Fenylenodwuamina [Polish]
Furro D
Peltol D
Renal PF
Rodol D
Ursol D
ACMC-1CUCB
Durafur Black R
Fourrine 1
Nako H
Pelagol Grey D
Phenylenediamine, para-
BASF ursol D
Zoba Black D
1,4-Phenylenediamine
4-amino-aniline
AC1L1PM0
AC1Q53DE
Developer 13
PHENYLENEDIAMINE, P-
1,4 diaminobenzene
1,4-BENZENEDIAMINE
1,4-Diaminobenzene
AC1Q521T
AC1Q521U
AC1Q521V
AC1Q521W
I809
KSC174M0N
Oxidation base 10
UNII-TJX894Z2PK component CBCKQZAAMUWICA-UHFFFAOYSA-N
CI Developer 13
NSC4777
p-Fenylendiamin [Czech]
PubChem22180
SCHEMBL27981
1,4 phenylene diamine
1,4-phenylene diamine
CCRIS 509
CTK0H4606
P0170
U770QIT64J
1,4-diamino benzene
1,4-DIAMINO-BENZENE
ACT07286
AS00466
benzene-1,4-diamine
CHEMBL403741
CI Oxidation Base 10
LS-402
NE10526
RP09002
STR01091
WLN: ZR DZ
C19499
HSDB 2518
p-Phenylenediamine, sublimed, >=99%
UNII-U770QIT64J
AK110185
BBL011602
DTXSID9021138
NSC 4777
NSC-4777
OR000317
STL163334
UN 1673
Usaf ek-394
CHEBI:51403
DSSTox_CID_1138
ZINC8294962
AB1002877
AJ-57421
AN-22438
ANW-15356
CI 76060
CJ-13205
DSSTox_GSID_21138
KB-80078
LABOTEST-BB LTBB002107
SC-77433
ST2419110
TRA0038404
1,4-Phenylenediamine-13N2
ATTERCOP-CHM AT126215
BB_SC-7053
DSSTox_RID_75969
Fur Black 41866
Fur Black 41867
FUR Brown 41866
MFCD00007901
ZINC08294962
AI3-00710
C.I. Developer 13
RTR-013269
AKOS005716327
Epitope ID:114080
I01-4376
C.I. Oxidation Base 10
FT-0606928
p-Phenylenediamine, flakes, >=99.5%
p-Phenylenediamine, zone-refined, purified by sublimation, >=99%
Z426537038
EN300-19064
OTAVA-BB 1509975
Tox21_111615
Tox21_201993
Tox21_302943
106-50-3
3B1-000655
3B1-001622
F0001-0125
C.I. 76060
MCULE-9588027148
NCGC00159375-02
NCGC00159375-03
NCGC00159375-04
NCGC00159375-05
NCGC00256482-01
NCGC00259542-01
CAS-106-50-3
EINECS 203-404-7
HSDB 6256 (Salt/Mix)
56481-76-6
82785-55-5
Tox21_111615_1
p-Phenylenediamine, >=99.0% (GC/NT)
MolPort-001-766-737
540-24-9 (mono-hydrochloride)
624-18-0 (di-hydrochloride)
1,4-Benzenediamine; 1,4-Diaminobenzene; 1,4-Phenylenediamine
p-Phenylenediamine, technical, >=97.0% (GC/NT)
16245-77-5 (monosulfate)
62654-17-5 (monooxalate)
p-Phenylenediamine [UN1673] [Keep away from food]
C.I. 76076 (Salt/Mix)
p-Phenylenediamine [UN1673] [Keep away from food]
InChI=1/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H
Microorganism:

Yes

IUPAC namebenzene-1,4-diamine
SMILESC1=CC(=CC=C1N)N
InchiInChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2
FormulaC6H4(NH2)2
PubChem ID7814
Molweight108.144
LogP0.32
Atoms16
Bonds16
H-bond Acceptor2
H-bond Donor2
Chemical ClassificationBenzenoids Amines nitrogen compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for 1,4-benzenediamine is estimated as 6.7X10-10 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that 1,4-benzenediamine will be essentially nonvolatile from water surfaces(2,SRC). 1,4-Benzenediamine is not expected to volatilize from dry soil surfaces based on an extrapolated vapor pressure of 0.005 mm Hg at 25 deg C(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Yaws CL; Handbook of Vapor Pressure. Vol 2 C5-C7 Compounds. Houston, TX: Gulf Publ Co (1994)
Soil Adsorption
Based on a recommended classification scheme(1), an estimated Koc value of 16(SRC), determined from a measured log Kow of -0.3(2) and a recommended regression-derived equation(3), indicates that 1,4-benzenediamine is expected to have high mobility in soil(SRC); however it may form covalent bonds to humic material which would limit movement through soil(4).
Literature: (1) Swann RL et al; Res Rev 85: 23 (1983) (2) Hansch C, Leo A; Exploring QSAR Fundamentals and Applications in Chemistry and Biology. Washington, DC: Amer Chem Soc (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 5-4, 5-10 (1990) (4) Adrian P et al; Chemosphere 18: 1599-1609 (1989)
Vapor Pressure
PressureReference
<1 mm Hg at 21 deg C (technical product)IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: http://monographs.iarc.fr/ENG/Classification/index.php, p. V16 126 (1978)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Aurantiacan/aFernando et al., 2005
BacteriaPseudomonas Chlororaphisn/aFernando et al., 2005
BacteriaPseudomonas Corrugaten/aFernando et al., 2005
BacteriaPseudomonas Fluorescensn/aFernando et al., 2005
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Aurantiacan/an/a
BacteriaPseudomonas Chlororaphisn/an/a
BacteriaPseudomonas Corrugaten/an/a
BacteriaPseudomonas Fluorescensn/an/a