Results for:
PubChem ID: 7814

Benzene-1,4-diamine

Mass-Spectra

Compound Details

Synonymous names
p-Phenylenediamine
106-50-3
benzene-1,4-diamine
1,4-BENZENEDIAMINE
1,4-Diaminobenzene
1,4-Phenylenediamine
4-Aminoaniline
para-phenylenediamine
p-Diaminobenzene
p-Aminoaniline
Orsin
4-Phenylenediamine
Paraphenylenediamine
p-Benzenediamine
Fouramine D
Futramine D
Benzofur D
Developer PF
Fourrine D
Fur Yellow
Santoflex IC
Santoflex LC
Durafur Black R
Pelagol D
Tertral D
Pelagol DR
Pelagol Grey D
Peltol D
Fourrine 1
Furro D
Ursol D
Renal PF
Zoba Black D
Developer 13
Nako H
BASF ursol D
Fenylenodwuamina
p-Phenyldiamine
Oxidation base 10
P-PHENYLENE DIAMINE
Rodol D
Usaf ek-394
C.I. Developer 13
Fur Black 41867
Paraphenylen-diamine
paraphenylene-diamine
p-Fenylendiamin
FUR Brown 41866
C.I. Oxidation Base 10
CI Developer 13
p-phenylenediamine base
CI Oxidation Base 10
Fur Black 41866
CI 76060
NSC 4777
CCRIS 509
C.I. 76060
CHEBI:51403
HSDB 2518
EINECS 203-404-7
UNII-U770QIT64J
U770QIT64J
DTXSID9021138
AI3-00710
NSC-4777
p-PhenylenediaMine(p-PDA)
DTXCID401138
EC 203-404-7
MFCD00007901
NCGC00159375-02
NCGC00159375-04
p-Fenylendiamin [Czech]
PARAPHENYLENEDIAMINE (MART.)
PARAPHENYLENEDIAMINE [MART.]
Fenylenodwuamina [Polish]
Black for Fur D
1,4-diaminobenzol
CAS-106-50-3
4-phenylene diamine
1,4-phenylene diamine
Phenylenediamine, para-
PARA PHENYLENE DIAMINE
p-phenylendiamine
4-amino-aniline
Aminogen II
para-diaminobenzene
ELF Color
p-phenylene-diamine
paraphenylene diamine
1,4-diamino benzene
para-phenylene diamine
Phenylenediamine, para
FOURRINE I
MAKO H
FUR BLACK R
WLN: ZR DZ
Epitope ID:114080
SCHEMBL27981
1,4-DIAMINO-BENZENE
USAF EK-391
HSDB 6256 (Salt/Mix)
CHEMBL403741
P-PHENYLENEDIAMINE [MI]
NSC4777
P-PHENYLENEDIAMINE [INCI]
C.I. 76076 (Salt/Mix)
1,4-BENZENEDIAMINE [HSDB]
AMY40784
P-PHENYLENEDIAMINE [WHO-DD]
PARAPHENYLENEDIAMINE [VANDF]
STR01091
Tox21_111615
Tox21_201993
Tox21_302943
BBL011602
STL163334
AKOS005716327
p-Phenylenediamine, sublimed, >=99%
Tox21_111615_1
1,4-Benzendiamine;1,4-Di-aminobenzol
DB14141
MCULE-9588027148
UN 1673
p-Phenylenediamine, flakes, >=99.5%
NCGC00159375-03
NCGC00159375-05
NCGC00256482-01
NCGC00259542-01
BP-31236
p-Phenylenediamine, >=99.0% (GC/NT)
PHENYLENEDIAMINE, PARA, SOLID (DOT)
NS00010864
P0170
EN300-19064
C19499
Obeo The Mee Plus Hair Color Cream Dark Brown
Obeo The Mee Plus Hair Color Cream Natural Brown
Q415024
TMCA HAIR COLOR Number Six (Natural dark brown)
p-Phenylenediamine, technical, >=97.0% (GC/NT)
1,4-Phenylenediamine 2000 microg/mL in Acetonitrile
p-Phenylenediamine [UN1673] [Keep away from food]
Z104472524
InChI=1/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H
p-Phenylenediamine, zone-refined, purified by sublimation, >=99%
BEAUTIFUL WOMANS HAIR LOVES COLORFUL BUBBLES HAIR DYE 3N DARK BROWN
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
FormulaC6H8N2
PubChem ID7814
Molweight108.14
LogP-0.3
Atoms8
Bonds0
H-bond Acceptor2
H-bond Donor2
Chemical Classificationaromatic compounds amines nitrogen compounds benzenoids
CHEBI-ID51403
Supernatural-IDSN0040933

mVOC Specific Details

Boiling Point
DegreeReference
267 °C peer reviewed
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)
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Fluorescensn/aNAFernando et al. 2005
ProkaryotaPseudomonas Corrugatan/aNAFernando et al. 2005
ProkaryotaPseudomonas Chlororaphisn/aNAFernando et al. 2005
ProkaryotaPseudomonas Aurantiacan/aNAFernando et al. 2005
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Fluorescensn/an/ano
ProkaryotaPseudomonas Corrugatan/an/ano
ProkaryotaPseudomonas Chlororaphisn/an/ano
ProkaryotaPseudomonas Aurantiacan/an/ano