Compound: p-Phenylenediamine
SMILES: Nc1ccc(N)cc1
InChIKey: CBCKQZAAMUWICA-UHFFFAOYSA-N
Synonyms: p-Phenylenediamine, 106-50-3, 1,4-BENZENEDIAMINE, 1,4-Diaminobenzene, 1,4-Phenylenediamine, 4-Aminoaniline, para-phenylenediamine, p-Aminoaniline, p-Diaminobenzene, Orsin, Paraphenylenediamine, Ursol D, 4-Phenylenediamine, 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, Renal PF, Zoba Black D, Developer 13, Nako H, BASF ursol D, Fenylenodwuamina, Oxidation base 10, Rodol D, Usaf ek-394, C.I. Developer 13, Fur Black 41867, Paraphenylen-diamine, p-Fenylendiamin, FUR Brown 41866, P-PHENYLENE DIAMINE, C.I. Oxidation Base 10, CI Developer 13, paraphenylene-diamine, CI Oxidation Base 10, Fur Black 41866, CI 76060, C.I. 76060, DTXSID9021138, U770QIT64J, CHEBI:51403, NSC-4777, DTXCID401138, 1,4-phenyldiamine, black henna, 1,4-phenylene diamine, ELF Color, RefChem:6094, Obeo The Mee Plus Hair Color Cream Dark Brown, Obeo The Mee Plus Hair Color Cream Natural Brown, TMCA HAIR COLOR Number Six (Natural dark brown), BEAUTIFUL WOMANS HAIR LOVES COLORFUL BUBBLES HAIR DYE 3N DARK BROWN, 203-404-7, para, benzene-1,4-diamine, p-Phenyldiamine, NSC 4777, p-phenylenediamine base, MFCD00007901, p-PhenylenediaMine(p-PDA), NCGC00159375-02, NCGC00159375-04, p-Fenylendiamin [Czech], Fenylenodwuamina [Polish], CAS-106-50-3, CCRIS 509, 4-phenylene diamine, (4-Aminophenyl)amine, HSDB 2518, Phenylenediamine, para-, 1,4-Phenylenediamine-15n2,99 atom % 15n, EINECS 203-404-7, UNII-U770QIT64J, AI3-00710, p-phenylendiamine, 4-amino-aniline, Aminogen II, 1,4-Benzene-2,3,5,6-d4-di(amine-d2),radical ion(1+)(9ci), para-diaminobenzene, p-phenylene-diamine, paraphenylene diamine, aniline, 4-amino-, 1,4-diamino benzene, para-phenylene diamine, Phenylenediamine, para, WLN: ZR DZ, Epitope ID:114080, EC 203-404-7, SCHEMBL27981, 1,4-DIAMINO-BENZENE, SCHEMBL645101, HSDB 6256 (Salt/Mix), CHEMBL403741, SCHEMBL1204109, SCHEMBL1963092, SCHEMBL4000780, SCHEMBL6282891, SCHEMBL9443945, P-PHENYLENEDIAMINE [MI], NSC4777, C.I. 76076 (Salt/Mix), 1,4-BENZENEDIAMINE [HSDB], P-PHENYLENEDIAMINE [WHO-DD], PARAPHENYLENEDIAMINE [VANDF], STR01091, PARAPHENYLENEDIAMINE [MART.], Tox21_111615, Tox21_201993, Tox21_302943, BBL011602, EBC-26044, MSK1226-100A, STL163334, AKOS005716327, p-Phenylenediamine, sublimed, >=99%, Tox21_111615_1, 1,4-Benzendiamine;1,4-Di-aminobenzol, DB14141, FP26952, UN 1673, p-Phenylenediamine, flakes, >=99.5%, NCGC00159375-03, NCGC00159375-05, NCGC00256482-01, NCGC00259542-01, BP-31236, p-Phenylenediamine, >=99.0% (GC/NT), NS00010864, P0170, EN300-19064, C19499, F238391, Q415024, p-Phenylenediamine, technical, >=97.0% (GC/NT), 1,4-Phenylenediamine 2000 microg/mL in Acetonitrile, p-Phenylenediamine [UN1673]  [Keep away from food], p-Phenylenediamine Solution in Acetonitrile, 100ug/mL, 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%, 25168-37-0
Theoretical properties:
molecular_formula: C6H8N2
molecular_weight: 108.14 g/mol
exact_mass: 108.068748264 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 8
topological_polar_surface_area: 52 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: WHITE TO SLIGHTLY RED CRYSTALS
color: WHITE TO SLIGHTLY RED CRYSTALS
boiling_point: 513 °F at 760 mmHg (NTP, 1992)
melting_point: 284 °F (NTP, 1992)
density: Greater than 1 (water= 1)
solubility: 4 % at 75 °F (NIOSH, 2024)
flash_point: 311 °F (NTP, 1992)
vapor_pressure: less than 1 mmHg (NIOSH, 2024)
Descriptions:
pubchem: 1,4-phenylenediamine is a phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus. It has a role as a reagent, a dye, an allergen and a hapten.
chebi: A phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: p-Phenylenediamine (PPD) is an organic compound with the formula C6H4(NH2)2. This derivative of aniline is a white solid, but samples can darken due to air oxidation. It is mainly used as a component of engineering polymers and composites like kevlar. It is also an ingredient in hair dyes and is occasionally used as a substitute for henna.