4-Nitrobenzoic acid
Properties
- Molecular formula
- C7H5NO4
- Molar mass
- 167.12 g/mol
- Exact mass
- 167.0219 Da
- Density
- 1.61 g/mL (at 20 °C)
- Melting point
- 242 °C
- Boiling point
- 220–221 °C
- pKa
- 3.44
- Flash point
- 201 °C (closed cup)
- Water solubility
- 200 mg/L (25 °C)
- logP
- 1.29Crippen estimate
- Polar surface area
- 80.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed99.7% of notifiers
- H319 Causes serious eye irritation81.1% of notifiers
- H332 Harmful if inhaled18.1% of notifiers
- H335 May cause respiratory irritation16.3% of notifiers
Aggregated from 386 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P317, P319, P330, P337+P317, P403+P233, P405, P501
Identifiers
CAS number
62-23-7SMILES
O=C(O)c1ccc([N+](=O)[O-])cc1InChIKey
OTLNPYWUJOZPPA-UHFFFAOYSA-NInChI
InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)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
8 names
- Benzoic acid, 4-nitro-
- Benzoic acid, p-nitro-
- p-Nitrobenzoic acid
- Nitrodracylic acid
- p-Nitrobenzenecarboxylic acid
- p-Carboxynitrobenzene
- NSC 7707
- P-Nitrodracylic acid
Reactions
Work with 4-Nitrobenzoic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
5-Nitroisophthalic acid618-88-268 % similar
3,5-Dinitrobenzoic acid99-34-368 % similar
3,4-Dinitrobenzoic acid528-45-062 % similar
4-Nitrobenzamide619-80-759 % similar
2,5-Dinitrobenzoic acid610-28-658 % similar
Nitroterephthalic acid610-29-758 % similar
2,4-Dinitrobenzoic acid610-30-058 % similar
Terephthalic acid100-21-058 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds