Compound: O-PHENYLENEDIAMINE
SMILES: Nc1c(N)cccc1
InChIKey: GEYOCULIXLDCMW-UHFFFAOYSA-N
Synonyms: O-PHENYLENEDIAMINE, benzene-1,2-diamine, 95-54-5, 1,2-Phenylenediamine, 1,2-Diaminobenzene, 2-Aminoaniline, 1,2-Benzenediamine, o-Diaminobenzene, Orthamine, o-Benzenediamine, PODA, ortho-Phenylenediamine, C.I. Oxidation Base 16, 2-Phenylene diamine, o-Aminoaniline, EK 1700, SQ 15500, CI Oxidation Base 16, C.I. 76010, NSC 5354, CI 76010, orthophenylenediamine, DTXSID3025881, 8B713N8Q0F, NSC-5354, O-AMINOPHENYLAMINE, DTXCID905881, CHEBI:34043, RefChem:6077, 202-430-6, OPDA, o-Phenylene diamine, o-Fenylendiamin, IK 3, 1,2-Fenylendiamin, PHENYLENDIAMINE, MFCD00007721, phenylene-1,2-dimaine, Lansoprazole Impurity 22, OPD, NSC5354, aniline, 2-amino-, NCGC00090885-03, o-Fenylendiamin [Czech], 1,2-Fenylendiamin [Czech], CCRIS 508, HSDB 2893, Phenylenediamine, ortho-, EINECS 202-430-6, BRN 0606074, UNII-8B713N8Q0F, o-phenylendiamin, AI3-24343, o-phenylendiamine, Phenylene diamine, 2-Amino-aniline, ortho-aminoaniline, 0-phenylendiamine, 0-phenylenediamine, 2-aminophenylamine, o-phenyl-enediamine, o-phenyle-nediamine, o-phenylene-diamine, Phenylenediamine, o-, and its salt, 1.2-diaminobenzene, 1,2-phenylendiamine, 1,2 phenylenediamine, 1,2-benzenedi-amine, 1.2-phenylenediamine, ortho phenylene diamine, (2-aminophenyl)-amine, 1,2-phenylene diamine, 1,2-phenylene-diamine, WLN: ZR BZ, EC 202-430-6, NCIMech_000739, SCHEMBL6187, SCHEMBL19022, 1,2-DIAMINO-BENZENE, 4-13-00-00038 (Beilstein Handbook Reference), BIDD:ER0680, CHEMBL70582, SCHEMBL295682, SCHEMBL387162, SCHEMBL2071495, SCHEMBL3956262, SCHEMBL8740047, O-PHENYLENEDIAMINE [MI], SCHEMBL11062175, SCHEMBL15511951, SCHEMBL29351116, O-PHENYLENEDIAMINE [HSDB], STR03001, Tox21_400014, CCG-35856, EBC-47562, MSK000851, o-Phenylenediamine, flaked, 99.5%, SBB040801, STK301816, AKOS000119133, o-Phenylenediamine, sublimed, >=99%, AT28018, FP26951, MSK000851-100A, CAS-95-54-5, MSK000851-1000A, NCGC00090885-01, NCGC00090885-02, NCGC00090885-04, NCGC00090885-05, NCGC00090885-06, BP-11855, NCI60_004318, PD011925, 2-Phenylene diamine  (1,2Phenylenediamine), NS00006526, P0168, P0968, P1805, ST45061692, TIABENDAZOLE IMPURITY A [EP IMPURITY], EN300-19093, o-Phenylenediamine, for fluorescence, free base, AC-907/25014349, F094521, Lansoprazole Impurity 6; Tiabendazole EP Impurity A, Q3596763, o-Phenylenediamine [UN1673]  [Keep away from food], o-Phenylenediamine Solution in Acetonitrile, 100ug/mL, o-Phenylenediamine Solution in Acetonitrile, 1000ug/mL, o-Phenylenediamine, tablet, 20 mg substrate per tablet, Z104472742, o-Phenylenediamine, Peroxidase substrate, >=98.0%, powder, o-Phenylenediamine, suitable for fluorescence, >=99.0% (NT), InChI=1/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H, 25667-98-5
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: Brownish-yellow leaflets from water; plates from chloroform
color: Brownish-yellow leaflets from water; plates from chloroform
boiling_point: 493 to 496 °F at 760 mmHg (NTP, 1992)
melting_point: 216 to 219 °F (NTP, 1992)
solubility: less than 1 mg/mL at 68 °F (NTP, 1992)
flash_point: 313 °F (NFPA, 2010)
vapor_pressure: 2.06X10-3 mm Hg at 25 °C
Descriptions:
pubchem: o-Phenylenediamine and its salts can cause cancer according to The Environmental Protection Agency (EPA).
chebi: A phenylenediamine in which the two amino groups are <em>ortho</em> to each other.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: o-Phenylenediamine (OPD) is an organic compound with the formula C6H4(NH2)2.  This aromatic diamine is an important precursor to many heterocyclic compounds. OPD is a white compound although samples appear darker owing to oxidation by air.  It is isomeric with m-phenylenediamine and p-phenylenediamine.