2-Nitrobenzoic acid
Properties
- Molecular formula
- C7H5NO4
- Molar mass
- 167.12 g/mol
- Exact mass
- 167.0219 Da
- Density
- 1.575 g/mL (at 20 °C)
- Melting point
- 147.5 °C
- Water solubility
- < 1 g/L (22.8 °C)
- logP
- 1.29Crippen estimate
- Polar surface area
- 80.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation98.6% of notifiers
Aggregated from 70 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
552-16-9SMILES
O=C(O)c1ccccc1[N+](=O)[O-]InChIKey
SLAMLWHELXOEJZ-UHFFFAOYSA-NInChI
InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Benzoic acid, 2-nitro-
- Benzoic acid, o-nitro-
- o-Nitrobenzoic acid
- o-Carboxynitrobenzene
- NSC 9576
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 552-16-9. Each row opens the sheet with its composition and PDF.
Work with 2-Nitrobenzoic acid
Similar compounds
3-Nitrophthalic acid603-11-274 % similar
2-Chloro-3-nitrobenzoic acid3970-35-271 % similar
3-Nitrosalicylic acid85-38-171 % similar
2-Methyl-3-nitrobenzoic acid1975-50-469 % similar
2-Fluoro-3-nitrobenzoic acid317-46-469 % similar
2-Bromo-3-nitrobenzoic acid573-54-669 % similar
2-Amino-3-nitrobenzoic acid606-18-869 % similar
2-Nitrobenzamide610-15-168 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.