Compound: 4-NITROANILINE
SMILES: O=[N+]([O-])c1ccc(N)cc1
InChIKey: TYMLOMAKGOJONV-UHFFFAOYSA-N
Synonyms: 4-NITROANILINE, p-Nitroaniline, 100-01-6, 4-Nitrobenzenamine, p-Nitraniline, p-Aminonitrobenzene, p-Nitrophenylamine, 1-Amino-4-nitrobenzene, 4-Nitraniline, Benzenamine, 4-nitro-, Developer P, Aniline, 4-nitro-, Fast Red P Base, Aniline, p-nitro-, Fast Red Base GG, Fast Red 2G Base, Fast Red Base 2J, para-Nitroaniline, Azoamine Red ZH, Nitrazol CF extra, Devol Red GG, Fast Red P Salt, Fast Red GG Base, Fast Red GG Salt, Fast Red MP Base, Fast Red Salt GG, Diazo Fast Red GG, Red 2G Base, Fast Red 2G Salt, Fast Red Salt 2J, Azofix Red GG Salt, C.I. Developer 17, Naphtoelan Red GG Base, p-Nitroanilina, Azoic Diazo Component 37, Shinnippon Fast Red GG Base, CI Developer 17, Rcra waste number P077, para-Aminonitrobenzene, C.I. Azoic Diazo Component 37, DTXSID8020961, NCI-C60786, C.I. 37035, CI Azoic Diazo Component 37, 1MRQ0QZG7G, 4-Nitrobenzeneamine, CI 37035, NSC-9797, DTXCID40961, CHEBI:17064, paranitronaniline, RefChem:100035, 202-810-1, Paranitroaniline, 4-nitrophenylamine, MFCD00007858, NSC 9797, 4-NITRO-ANILINE, NCGC00091426-02, 4-Aminonitrobenzene, p-Nitroanilina [Polish], p-nitro aniline, PNA (VAN), 4-NITRO-PHENYLAMINE, Nitroaniline, p-, Azoamine Red 2H, CCRIS 1184, HSDB 1156, EINECS 202-810-1, UNII-1MRQ0QZG7G, RCRA waste no. P077, p-nitro-aniline, para-nitroanilin, AI3-08926, 4-nitro aniline, p-Nitroaniline, solid, (4-nitrophenyl)-amine, 4-Nitroaniline Standard, 4-Nitroaniline, 99%, WLN: ZR DNW, EC 202-810-1, 4-Nitroaniline, crystalline, 4-Nitroaniline, >=99%, NCIOpen2_002864, P-NITROANILINE [MI], SCHEMBL16451, MLS002454441, CHEMBL14282, 4-NITROANILINE [HSDB], SCHEMBL1039927, SCHEMBL1921008, SCHEMBL2210300, SCHEMBL3885956, SCHEMBL8074332, SCHEMBL10163408, NSC9797, HMS3039B17, 4-Nitroaniline, analytical standard, STR00350, Tox21_400031, MSK001049, SBB059787, STK301653, AKOS000119131, AKOS025293369, EBC-151108, FN34321, MSK001049-100A, p-Nitroaniline [UN1661]  [Poison], RP10001, p-Nitroaniline; p-Nitrophenylamine; 1-Amino-4-nitrobenzene; 4-Nitrobenzenamine, MSK001049-1000A, NCGC00091426-01, NCGC00091426-03, CAS-100-01-6, PD150625, SMR001372024, N0119, NS00005117, ST45061409, EN300-33571, C02126, AE-641/01643038, F094623, Q419842, 4-Nitroaniline Solution in Acetonitrile, 1000ug/mL, 4-Nitroaniline Solution in Acetonitrile, 100ug/mL, Z275127984, InChI=1/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H
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: Pale yellow monoclinic crystals from water
color: Pale yellow monoclinic crystals from water
odor: Faint ammonia; slightly pungent
boiling_point: 637 °F at 760 mmHg (NTP, 1992)
melting_point: 298 °F (NTP, 1992)
density: 1.44 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: less than 0.1 mg/mL at 70 °F (NTP, 1992)
flash_point: 390 °F (NTP, 1992)
vapor_pressure: 0.0015 mmHg at 68 °F ; 0.007 mmHg at 86 °F (NTP, 1992)
Descriptions:
pubchem: 4-nitroaniline is a nitroaniline carrying a nitro group at position 4. It has a role as a bacterial xenobiotic metabolite.
chebi: A nitroaniline carrying a nitro group at position 4.
chembl: 4-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.