Compound: m-Phenylenediamine
SMILES: Nc1cc(N)ccc1
InChIKey: WZCQRUWWHSTZEM-UHFFFAOYSA-N
Synonyms: m-Phenylenediamine, 108-45-2, benzene-1,3-diamine, 1,3-Phenylenediamine, 1,3-BENZENEDIAMINE, 1,3-Diaminobenzene, 3-Aminoaniline, m-Diaminobenzene, m-Aminoaniline, meta-Phenylenediamine, Developer C, Developer 11, 3-Phenylenediamine, Metaphenylenediamine, m-Benzenediamine, Developer H, Developer M, Direct Brown BR, Direct Brown GG, m-Fenylendiamin, C.I. Developer 11, meta-Aminoaniline, meta-Benzenediamine, meta-Diaminobenzene, CI Developer 11, Benzene, 1,3-diamino-, DTXSID4021137, APCO 2330, RODOL MPD, NSC-4776, OE624J2447, CHEBI:8092, DTXCID001137, CI 76025, CI-76025, RefChem:412816, 203-584-7, m-Phenylene diamine, NSC 4776, MFCD00007799, 1,3-DIAMINO-BENZENE, C.I. 76025, 1,3-phenylene diamine, m-Fenylendiamin [Czech], CAS-108-45-2, CCRIS 1236, HSDB 5384, Phenylenediamine, meta-, EINECS 203-584-7, BRN 0471357, AI3-52607, m-phenylenediamin, UNII-OE624J2447, m-phenylene-diamine, 1,3-diaminobenzol, Phenylenediamine, m, 1,3 bencenodiamina, 1,3 benzendiammina, 1,3 benzenediamine, 1,3 benzenodiamina, metaphenylene diamine, aniline, 3-amino-, 1,3-phenylendiamine, 1,3 phenylenediamine, meta-phenylene diamine, Phenylenediamine, meta, (3-aminophenyl)-amine, WLN: ZR CZ, EC 203-584-7, SCHEMBL16054, 4-13-00-00079 (Beilstein Handbook Reference), SCHEMBL644833, SCHEMBL645025, SCHEMBL645027, SCHEMBL3005697, SCHEMBL4989518, SCHEMBL5810451, SCHEMBL9482247, M-PHENYLENEDIAMINE [MI], CHEMBL1595914, SCHEMBL13724247, SCHEMBL15641755, NSC4776, m-Phenylenediamine, flakes, 99%, 1,3-BENZENEDIAMINE [HSDB], META-PHENYLENEDIAMINE [IARC], Tox21_202106, Tox21_300490, MSK000084, STL194287, AKOS000119108, EBC-459085, FP54897, GS-6709, NCGC00091145-01, NCGC00091145-02, NCGC00091145-03, NCGC00091145-04, NCGC00254260-01, NCGC00259655-01, AC-11132, m-Phenylenediamine, purum, >=99.0% (T), NS00005820, P1892, P1911, EN300-33904, C02454, D92171, m-Phenylenediamine, technical, >=98.0% (NT), Q2410205, m-Phenylenediamine [UN1673]  [Keep away from food], F0001-0170, InChI=1/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H
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 CRYSTALS BECOMING RED ON EXPOSURE TO AIR
color: WHITE CRYSTALS BECOMING RED ON EXPOSURE TO AIR
boiling_point: 540 to 543 °F at 760 mmHg (NTP, 1992)
melting_point: 145 to 147 °F (NTP, 1992)
density: 1.0696 at 136 °F (NTP, 1992) - Denser than water; will sink
solubility: less than 1 mg/mL at 66 °F (NTP, 1992)
flash_point: 280 °F (NTP, 1992)
vapor_pressure: 1 mmHg at 211.6 °F ; 0.0018 mmHg at 77 °F (NTP, 1992)
Descriptions:
pubchem: 1,3-phenylenediamine is a phenylenediamine taht is benzene substituted at positions 1 and 3 with amino functions.
chebi: A  phenylenediamine  taht is benzene substituted at positions 1 and 3 with amino functions.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: m-Phenylenediamine, also called 1,3-diaminobenzene, is an organic compound with the formula C6H4(NH2)2. It is an isomer of o-phenylenediamine and p-phenylenediamine. This aromatic diamine is a colourless solid that appears as needles, but turns red or purple on exposure to air due to formation of oxidation products. Samples often come as colourless flakes and may darken in storage.