chempirical

2,3-Dinitrotoluene

C7H6N2O4CAS 602-01-7182.13 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
1.3 g/mL
Melting point
59–61 °C
Boiling point
284 °C
logP
1.81Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
602-01-7
SMILES
Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-]
InChIKey
DYSXLQBUUOPLBB-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3

Weigh 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 1-Chloro-3-methyl-2-nitrobenzene5367-26-066 % similar 2-Methyl-6-nitrophenol13073-29-564 % similar 3-Methyl-2-nitrophenol4920-77-864 % similar 2-Methyl-6-nitroaniline570-24-164 % 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-Amino-3-nitrobenzoic acid606-18-8 2,6-Dinitrotoluene606-20-2 3,4-Dinitrotoluene610-39-9 2-Amino-5-nitrobenzoic acid616-79-5

Elsewhere

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