chempirical

2-Chloro-5-methyl-1,3-dinitrobenzene

C7H5ClN2O4CAS 5264-65-3216.58 g/mol

Open in Covalent MOL file
N+OO−ClN+OO−
Aryl halideNitro

Properties

Molecular formula
C7H5ClN2O4
Molar mass
216.58 g/mol
Exact mass
215.9938 Da
Melting point
115–116 °C
logP
2.46Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
5264-65-3
SMILES
Cc1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1
InChIKey
JMDVARRGYWIJGZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2O4/c1-4-2-5(9(11)12)7(8)6(3-4)10(13)14/h2-3H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Benzene, 2-chloro-5-methyl-1,3-dinitro-
  • Toluene, 4-chloro-3,5-dinitro-
  • 3,5-Dinitro-4-chlorotoluene
  • 2,6-Dinitro-4-methylchlorobenzene
  • 4-Chloro-3,5-dinitrotoluene
  • 4-Methyl-2,6-dinitrochlorobenzene
  • 1-Chloro-4-methyl-2,6-dinitrobenzene
  • 1-Chloro-2,6-dinitro-4-methylbenzene
  • NSC 105591

Work with 2-Chloro-5-methyl-1,3-dinitrobenzene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Picryl chloride88-88-066 % similar 2,6-Dinitro-P-cresol609-93-861 % similar 4-Chloro-3-nitrotoluene89-60-161 % similar 2-Chloro-1,3-dinitrobenzene606-21-359 % similar 3,4-Dinitrotoluene610-39-958 % similar 2-Chloro-4-methyl-1-nitrobenzene38939-88-758 % similar 2-Chloro-5-methyl-3-nitropyridine23056-40-857 % similar 1,2,3,4-Tetrachloro-5-nitrobenzene879-39-056 % similar

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

Same formula

Methyl 6-chloro-5-nitro-3-pyridinecarboxylate59237-53-5 2,4-Dinitrobenzyl chloride610-57-1 3,5-Dinitrobenzyl chloride74367-78-5

Elsewhere

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