2,5-Dichlorobenzenesulfonyl chloride

C₆H₃Cl₃O₂SCAS 5402-73-3245.50 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃Cl₃O₂S
Molar mass: 245.50 g/mol
Exact mass: 243.8919 Da
Melting point: 39 °C
logP: 2.92Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

5402-73-3

SMILES

O=S(=O)(Cl)c1cc(Cl)ccc1Cl

InChIKey

BXCOSWRSIISQSL-UHFFFAOYSA-N

InChI

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

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Names and synonyms

4 names

Benzenesulfonyl chloride, 2,5-dichloro-
2,5-Dichlorophenylsulfonyl chloride
NSC 8545
2,5-Dichlorobenzene-1-sulfonyl chloride

Work with 2,5-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

5-Chloro-2-fluorobenzenesulfonyl chloride351003-49-163 % similar 2-Chlorobenzenesulfonyl chloride2905-23-962 % similar 2,4,5-Trichlorobenzenesulfonyl chloride15945-07-059 % similar 4-Chloro-3-(chlorosulfonyl)benzoic acid2494-79-354 % similar 2-Chloro-5-nitrobenzenesulfonyl chloride4533-95-354 % similar 2,3,4-Trichlorobenzenesulfonyl chloride34732-09-753 % similar 2,4-Dichloro-5-methylbenzenesulfonyl chloride28286-86-452 % similar 4-Amino-6-chloro-1,3-benzenedisulfonyl dichloride671-89-652 % similar

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

Same formula

2,4-Dichlorobenzenesulfonyl chloride16271-33-3 2,3-Dichlorobenzenesulfonyl chloride82417-45-6 3,4-Dichlorobenzenesulfonyl chloride98-31-7

Elsewhere

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