4-Amino-2-nitrobenzoic acid
Properties
- Molecular formula
- C7H6N2O4
- Molar mass
- 182.13 g/mol
- Exact mass
- 182.0328 Da
- logP
- 0.88Crippen estimate
- Polar surface area
- 106.5 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed25% of notifiers
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
610-36-6SMILES
C1=CC(=C(C=C1N)[N+](=O)[O-])C(=O)OInChIKey
SAJYSJVBNGUWJK-UHFFFAOYSA-NInChI
InChI=1S/C7H6N2O4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,8H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Amino-2-nitrobenzoic acid
Similar compounds
Nitroterephthalic acid610-29-768 % similar
2,4-Dinitrobenzoic acid610-30-068 % similar
4-Fluoro-2-nitrobenzoic acid394-01-467 % similar
4-Chloro-2-nitrobenzoic acid6280-88-265 % similar
4-Bromo-2-nitrobenzoic acid99277-71-165 % similar
2-Nitrobenzoic acid552-16-961 % similar
2-Nitro-4-trifluoromethylbenzoic acid320-94-560 % similar
4-Methoxy-2-nitrobenzoic acid33844-21-260 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.