2,4-Dinitroaniline
Properties
- Molecular formula
- C6H5N3O4
- Molar mass
- 183.12 g/mol
- Exact mass
- 183.0280 Da
- Density
- 1.615 g/mL (at 14 °C)
- Melting point
- 187.5–188 °C
- Boiling point
- 56.7 °C
- pKa
- 18.46
- Flash point
- 223.9 °C (closed cup)
- Water solubility
- < 100 mg/L (22.8 °C)
- logP
- 1.09Crippen estimate
- Polar surface area
- 112.3 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 2
Hazards
Danger
- H300 Fatal if swallowedAcute toxicity, oral
- H310 Fatal in contact with skinAcute toxicity, dermal
- H330 Fatal if inhaledAcute toxicity, inhalation
- H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
- H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 612-040-00-1), via PubChem.
Precautionary statements
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
97-02-9SMILES
Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]InChIKey
LXQOQPGNCGEELI-UHFFFAOYSA-NInChI
InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Benzenamine, 2,4-dinitro-
- Aniline, 2,4-dinitro-
- 2,4-Dinitrobenzenamine
- 1-Amino-2,4-dinitrobenzene
- NSC 8731
- Dinitroaniline
Reactions
Work with 2,4-Dinitroaniline
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
4-Nitro-1,2-phenylenediamine99-56-972 % similar
2-Nitro-4-phenylenediamine5307-14-268 % similar
2-Amino-5-nitrophenol121-88-066 % similar
4-Fluoro-2-nitroaniline364-78-366 % similar
2-Chloro-4-nitroaniline121-87-964 % similar
2-Bromo-4-nitrobenzenamine13296-94-164 % similar
4-Iodo-2-nitrobenzenamine20691-72-964 % similar
2-Fluoro-4-nitrobenzenamine369-35-764 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.