chempirical

2,4-Dinitrotoluene

C7H6N2O4CAS 121-14-2182.13 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
1.3208 g/mL (at 71 °C)
Melting point
71 °C
Boiling point
300 °C
logP
1.81Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
121-14-2
SMILES
Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
RMBFBMJGBANMMK-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(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

7 names
  • Benzene, 1-methyl-2,4-dinitro-
  • Toluene, 2,4-dinitro-
  • 1-Methyl-2,4-dinitrobenzene
  • 2,4-DNT
  • 4-Methyl-1,3-dinitrobenzene
  • 6-Methyl-1,3-dinitrobenzene
  • NSC 7194

Work with 2,4-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

4-Nitro-O-xylene99-51-472 % similar 1,4-Dimethyl-2-nitrobenzene89-58-768 % similar 4-Iodo-2-nitrotoluene41252-97-566 % similar 4-Fluoro-1-methyl-2-nitrobenzene446-10-666 % similar 2-Iodo-1-methyl-4-nitrobenzene7745-92-866 % similar 4-Methyl-3-nitroaniline119-32-464 % similar 2-Chloro-4-nitrotoluene121-86-864 % similar 2-Fluoro-1-methyl-4-nitrobenzene1427-07-264 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

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 2,6-Dinitrotoluene606-20-2 3,4-Dinitrotoluene610-39-9 2-Amino-5-nitrobenzoic acid616-79-5

Elsewhere

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