4-Amino-3-nitrobenzoic acid
Properties
- Molecular formula
- C7H6N2O4
- Molar mass
- 182.13 g/mol
- Exact mass
- 182.0328 Da
- Melting point
- 284 °C
- logP
- 0.88Crippen estimate
- Polar surface area
- 106.5 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation98% of notifiers
Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1588-83-6SMILES
Nc1ccc(C(=O)O)cc1[N+](=O)[O-]InChIKey
ZZNAYFWAXZJITH-UHFFFAOYSA-NInChI
InChI=1S/C7H6N2O4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,8H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzoic acid, 4-amino-3-nitro-
- 3-Nitro-4-aminobenzoic acid
- 4-Carboxy-2-nitroaniline
- NSC 20673
Work with 4-Amino-3-nitrobenzoic acid
Similar compounds
3-Amino-4-nitrobenzoic acid6968-22-578 % similar
3,4-Dinitrobenzoic acid528-45-072 % similar
Nitroterephthalic acid610-29-768 % similar
4-Hydroxy-3-nitrobenzoic acid616-82-067 % similar
4-Bromo-3-nitrobenzoic acid6319-40-067 % similar
4-Chloro-3-nitrobenzoic acid96-99-167 % similar
3-Bromo-4-nitrobenzoic acid101420-81-965 % similar
4-Iodo-3-nitrobenzoic acid35674-27-265 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.