3,4-Dichlorobenzenesulfonyl chloride

C₆H₃Cl₃O₂SCAS 98-31-7245.50 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃Cl₃O₂S
Molar mass: 245.50 g/mol
Exact mass: 243.8919 Da
Melting point: 67–69 °C
logP: 2.92Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

98-31-7

SMILES

O=S(=O)(Cl)c1ccc(Cl)c(Cl)c1

InChIKey

NYIBPWGZGSXURD-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl3O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H

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Names and synonyms

4 names

Benzenesulfonyl chloride, 3,4-dichloro-
3,4-Dichlorophenylsulfonyl chloride
NSC 2651
3,4-Dichlorobenzene-1-sulfonyl chloride

Work with 3,4-Dichlorobenzenesulfonyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Chloro-4-methylbenzenesulfonyl chloride42413-03-667 % similar 1,3-Benzenedisulfonyl dichloride585-47-762 % similar 4-Chloro-3-nitrobenzenesulfonyl chloride97-08-557 % similar 4-Chlorobenzenesulfonyl chloride98-60-254 % similar 3-Chlorobenzenesulfonyl chloride2888-06-453 % similar 6-Chloro-2-naphthalenesulfonyl chloride102153-63-953 % similar [1,1′-Biphenyl]-4,4′-disulfonyl dichloride3406-84-652 % similar 2,4,5-Trichlorobenzenesulfonyl chloride15945-07-052 % similar

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

Same formula

2,4-Dichlorobenzenesulfonyl chloride16271-33-3 2,5-Dichlorobenzenesulfonyl chloride5402-73-3 2,3-Dichlorobenzenesulfonyl chloride82417-45-6

Elsewhere

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