2,4-Dichloro-5-methylbenzenesulfonyl chloride

C₇H₅Cl₃O₂SCAS 28286-86-4259.53 g/mol

Open in Covalent MOL file

Aryl halide

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

Hazards

Danger

H302 Harmful if swallowed20% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 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
2,4-Dichloro-5-methylbenzene-1-sulphonyl 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 2-Chloro-p-toluenesulfochloride42413-03-658 % similar 4-Amino-6-chlorobenzene-1,3-di(sulphonyl chloride)671-89-656 % similar 2-Chloro-4,5-difluorobenzenesulfonyl chloride67475-58-556 % similar 3-Chloro-2-methylbenzenesulfonyl chloride80563-86-655 % similar 4-Chloro-2,5-dimethylbenzenesulfonamide219689-73-353 % similar 2,4,5-Trichlorotoluene6639-30-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dichlorophenylmethanesulfonyl chloride85952-30-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook