chempirical

2,4-Dinitrochlorobenzene

C6H3ClN2O4CAS 97-00-7202.55 g/mol

Open in Covalent MOL file
ON+O−ClN+OO−
Aryl halideNitro

Properties

Molecular formula
C6H3ClN2O4
Molar mass
202.55 g/mol
Exact mass
201.9781 Da
Density
1.7 g/mL
Melting point
54 °C
Boiling point
315 °C
logP
2.16Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
97-00-7
SMILES
O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1
InChIKey
VYZAHLCBVHPDDF-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H

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Names and synonyms

13 names · show all
  • Benzene, 1-chloro-2,4-dinitro-
  • 1-Chloro-2,4-dinitrobenzene
  • 1,3-Dinitro-4-chlorobenzene
  • 2,4-Dinitro-1-chlorobenzene
  • DNCB
  • 4-Chloro-1,3-dinitrobenzene
  • Dinitrochlorobenzene
  • 2,4-Dinitrophenyl chloride
  • CDNB
  • 6-Chloro-1,3-dinitrobenzene
  • 1-Chloro-2,4-nitrobenzene
  • 2-Chloro-1,5-dinitrobenzene
  • NSC 6292

Work with 2,4-Dinitrochlorobenzene

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

1,2-Dichloro-4-nitrobenzene99-54-772 % similar 1,4-Dichloro-2-nitrobenzene89-61-268 % similar 1-Chloro-4-fluoro-2-nitrobenzene345-17-566 % similar 1-Chloro-2-methyl-4-nitrobenzene13290-74-964 % similar 4-Bromo-1-chloro-2-nitrobenzene16588-24-264 % similar 2-Bromo-1-chloro-4-nitrobenzene16588-26-464 % similar 1-Chloro-2-fluoro-4-nitrobenzene350-31-264 % similar 4-Chloro-3-nitrophenol610-78-664 % similar

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

Same formula

2-Chloro-1,3-dinitrobenzene606-21-3 4-Chloro-1,2-dinitrobenzene610-40-2

Elsewhere

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