2,3-Dinitrotoluene
Properties
- Molecular formula
- C7H6N2O4
- Molar mass
- 182.13 g/mol
- Exact mass
- 182.0328 Da
- Density
- 1.3 g/mL
- Melting point
- 59–61 °C
- Boiling point
- 284 °C
- Water solubility
- 161 mg/L (25 °C)
- logP
- 1.81Crippen estimate
- Polar surface area
- 86.3 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H331 Toxic if inhaledAcute toxicity, inhalation
- H341 Suspected of causing genetic defectsGerm cell mutagenicity
- H350 May cause cancerCarcinogenicity
- H361f *** Suspected of damaging fertilityReproductive toxicity
- H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 609-050-00-3), via PubChem.
Precautionary statements
P203, P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P319, P321, P330, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
602-01-7SMILES
Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-]InChIKey
DYSXLQBUUOPLBB-UHFFFAOYSA-NInChI
InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Benzene, 1-methyl-2,3-dinitro-
- Toluene, 2,3-dinitro-
- 1-Methyl-2,3-dinitrobenzene
- 2,3-DNT
- 2,3-Dinitrotoluol
Work with 2,3-Dinitrotoluene
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
2,6-Dimethylnitrobenzene81-20-978 % similar
3-Nitro-o-xylene83-41-070 % similar
2-Nitrotoluene88-72-269 % similar
2-Chloro-1-methyl-3-nitrobenzene3970-40-966 % similar
3-Bromo-2-nitrotoluene52414-97-866 % similar
1-Chloro-3-methyl-2-nitrobenzene5367-26-066 % similar
2-Methyl-6-nitrophenol13073-29-564 % similar
1-Fluoro-3-methyl-2-nitrobenzene3013-27-264 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.