chempirical

2,4-Dinitrobenzenesulfonyl chloride

C6H3ClN2O6SCAS 1656-44-6266.61 g/mol

Open in Covalent MOL file
ON+O−SOOClN+OO−
Nitro

Properties

Molecular formula
C6H3ClN2O6S
Molar mass
266.61 g/mol
Exact mass
265.9400 Da
Melting point
101–102 °C
Boiling point
60–80 °C
logP
1.43Crippen estimate
Polar surface area
120.4 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
3

Identifiers

CAS number
1656-44-6
SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1
InChIKey
SSFSNKZUKDBPIT-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H

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Names and synonyms

3 names
  • Benzenesulfonyl chloride, 2,4-dinitro-
  • 2,4-Dinitrophenylsulfonyl chloride
  • 2,4-Dinitrobenzene-1-sulfonyl chloride

Work with 2,4-Dinitrobenzenesulfonyl chloride

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-Chloro-5-nitrobenzenesulfonyl chloride4533-95-366 % similar 2-Methyl-5-nitrobenzenesulfonyl chloride121-02-864 % similar 2-Nitrobenzenesulfonyl chloride1694-92-464 % similar 2-Methoxy-4-nitrobenzenesulfonyl chloride21320-91-263 % similar 2,4-Dinitrobenzenesulfonic acid89-02-163 % similar Sodium 2,4-dinitrobenzenesulfonate885-62-162 % similar 4-Nitrobenzenesulfonyl chloride98-74-858 % similar 3-Nitrobenzenesulfonyl chloride121-51-756 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook