Compound: 2-NITROANILINE
SMILES: O=[N+]([O-])c1c(N)cccc1
InChIKey: DPJCXCZTLWNFOH-UHFFFAOYSA-N
Synonyms: 2-NITROANILINE, 88-74-4, o-Nitroaniline, 2-Nitrobenzenamine, Benzenamine, 2-nitro-, o-Nitraniline, 1-Amino-2-nitrobenzene, Fast Orange GR Base, Fast Orange O Base, Devol Orange B, Fast Orange Base GR, Orange GRS Salt, o-Aminonitrobenzene, 2-Aminonitrobenzene, Aniline, o-nitro-, Orthonitroaniline, Fast Orange O Salt, Devol Orange Salt B, Fast Orange Base JR, Fast Orange GR Salt, Fast Orange Salt GR, Fast Orange Salt JR, Orange Base Ciba II, Orange Base Irga II, Orange Salt Ciba II, Orange Salt Irga II, Diazo Fast Orange GR, Azofix Orange GR Salt, Azoene Fast Orange GR Salt, Azogene Fast Orange GR, Hindasol Orange GR Salt, Azoic Diazo Component 6, ortho-nitroaniline, Azoene Fast Orange GR Base, Natasol Fast Orange GR Salt, Hiltonil Fast Orange GR Base, Hiltosal Fast Orange GR Salt, Brentamine Fast Orange GR Base, Brentamine Fast Orange GR Salt, C.I. Azoic Diazo Component 6, CI Azoic Diazo Component 6, C.I. 37025, DTXSID1025726, CI 37025, NSC-9796, DTXCID905726, 2519U0541L, o-nitrophenylamine, RefChem:88702, 201-855-4, 2-Nitro-phenylamine, NSC 9796, MFCD00007687, Aniline, 2-nitro-, 2-NITRO-ANILINE, ONA, 2-nitrophenylamine, o-nitro aniline, CAS-88-74-4, CCRIS 2317, HSDB 1132, 1-Nitro-2-aminobenzene, EINECS 201-855-4, 2nitroaniline, o-Nitranilin, o-nitro-aniline, AI3-02916, 2-nitro aniline, 2-nitro-anilin, UNII-2519U0541L, 2-Nitro-benzeneamine, (2-nitrophenyl)-amine, 2-Nitroaniline, 98%, 2-Nitroaniline, 99%, 2-Nitroaniline-al-14c, Rabeprazole Impurity 69, (2-nitro-phenyl)-amine, NITROANILINE, O-, WLN: ZR BNW, EC 201-855-4, SCHEMBL6000, O-NITROANILINE [MI], SCHEMBL301032, 2-NITROANILINE [HSDB], CHEMBL274009, SCHEMBL1028967, SCHEMBL1036583, SCHEMBL2783828, SCHEMBL6129444, SCHEMBL10503974, SCHEMBL11911292, SCHEMBL29396517, NSC9796, STR00840, Tox21_202371, Tox21_303292, BDBM50554334, SBB040877, STL140693, AKOS000119116, EBC-151175, o-Nitroaniline [UN1661]  [Poison], NCGC00091373-01, NCGC00091373-02, NCGC00257171-01, NCGC00259920-01, BP-21264, DB-057102, N0118, NS00003098, ST45255269, EN300-17394, D97708, F003515, Q2590230, Z56924541, F2190-0432, InChI=1/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H, 38500-40-2
Theoretical properties:
molecular_formula: C6H6N2O2
molecular_weight: 138.12 g/mol
exact_mass: 138.042927438 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 10
topological_polar_surface_area: 71.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Yellow-orange crystals from boiling water
color: Yellow-orange crystals from boiling water
odor: Musty
boiling_point: 543 °F at 760 mmHg (NTP, 1992)
melting_point: 160.7 °F (NTP, 1992)
density: 1.44 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: less than 1 mg/mL at 70.7 °F (NTP, 1992)
flash_point: 335 °F (NTP, 1992)
vapor_pressure: 1 mmHg at 219.2 °F ; <0.1 mmHg at 86 °F (NTP, 1992)
Descriptions:
chembl: 2-NITROANILINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 4-Nitroaniline, p-nitroaniline or 1-amino-4-nitrobenzene is an organic compound with the formula C6H6N2O2. A yellow solid, it is one of three isomers of nitroaniline. It is an intermediate in the production of dyes, antioxidants, pharmaceuticals, gasoline, gum inhibitors, poultry medicines, and as a corrosion inhibitor.