2,6-Dinitrotoluene
Properties
- Molecular formula
- C7H6N2O4
- Molar mass
- 182.13 g/mol
- Exact mass
- 182.0328 Da
- Density
- 1.2833 g/mL (at 111 °C)
- Melting point
- 66 °C
- Boiling point
- 285 °C
- pKa
- 1.8
- Flash point
- 206.7 °C (closed cup)
- Water solubility
- 204 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
- H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 609-049-00-8), 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, P403+P233, P405, P501
Identifiers
CAS number
606-20-2SMILES
Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]InChIKey
XTRDKALNCIHHNI-UHFFFAOYSA-NInChI
InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(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, 2-methyl-1,3-dinitro-
- Toluene, 2,6-dinitro-
- 2-Methyl-1,3-dinitrobenzene
- 2,6-DNT
- 1-Methyl-2,6-dinitrobenzene
Work with 2,6-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
3-Nitro-o-xylene83-41-081 % similar
2-Bromo-6-nitrotoluene55289-35-575 % similar
2-Methyl-3-nitroaniline603-83-875 % similar
1-Chloro-2-methyl-3-nitrobenzene83-42-175 % similar
2-Methyl-3-nitrophenol5460-31-172 % similar
1-Fluoro-2-methyl-3-nitrobenzene769-10-872 % similar
2-Methyl-3-nitrobenzenemethanol23876-13-370 % similar
1-Methoxy-2-methyl-3-nitrobenzene4837-88-168 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.