2,4-Dichloro-5-methylbenzenesulfonyl chloride

C₇H₅Cl₃O₂SCAS 28286-86-4259.53 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅Cl₃O₂S
Molar mass: 259.53 g/mol
Exact mass: 257.9076 Da
Melting point: 71 °C
logP: 3.23Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

28286-86-4

SMILES

Cc1cc(S(=O)(=O)Cl)c(Cl)cc1Cl

InChIKey

DFBKCDYLPLBSJP-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl3O2S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,1H3

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Names and synonyms

4 names

Benzenesulfonyl chloride, 2,4-dichloro-5-methyl-
m-Toluenesulfonyl chloride, 4,6-dichloro-
2,4-Dichlorotoluene-5-sulfochloride
2,4-Dichloro-5-methylbenzene-1-sulfonyl chloride

Work with 2,4-Dichloro-5-methylbenzenesulfonyl 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

4-Chloro-2,5-dimethylbenzenesulfonyl chloride88-49-382 % similar 2,4,5-Trichlorobenzenesulfonyl chloride15945-07-070 % similar 3-Chloro-4-methylbenzenesulfonyl chloride42413-03-658 % similar 4-Amino-6-chloro-1,3-benzenedisulfonyl dichloride671-89-656 % similar 3-Chloro-2-methylbenzenesulfonyl chloride80563-86-655 % similar 2,4,5-Trichlorotoluene6639-30-152 % similar 2-Chlorobenzenesulfonyl chloride2905-23-952 % similar 2,4-Dichlorobenzenesulfonyl chloride16271-33-352 % similar

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

Same formula

3,4-Dichlorophenylmethanesulfonyl chloride85952-30-3

Elsewhere

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