chempirical

2,6-Dinitrotoluene

C7H6N2O4CAS 606-20-2182.13 g/mol

Open in Covalent MOL file
N+OO−N+OO−
Nitro

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
logP
1.81Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
606-20-2
SMILES
Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]
InChIKey
XTRDKALNCIHHNI-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3

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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. All similar compounds

Same formula

2,4-Dinitrotoluene121-14-2 5-Amino-2-nitrobenzoic acid13280-60-9 4-Amino-3-nitrobenzoic acid1588-83-6 2-Amino-6-nitrobenzoic acid50573-74-5 2,3-Dinitrotoluene602-01-7 2-Amino-3-nitrobenzoic acid606-18-8 3,4-Dinitrotoluene610-39-9 2-Amino-5-nitrobenzoic acid616-79-5

Elsewhere

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