2,5-Dimethylbenzenesulfonyl chloride

C₈H₉ClO₂SCAS 19040-62-1204.67 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₉ClO₂S
Molar mass: 204.67 g/mol
Exact mass: 204.0012 Da
Melting point: 156–158 °C
Boiling point: 149–150 °C (at 12 Torr)
logP: 2.23Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals12.5% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501

Identifiers

CAS number

19040-62-1

SMILES

Cc1ccc(C)c(S(=O)(=O)Cl)c1

InChIKey

FZVZUIBYLZZOEW-UHFFFAOYSA-N

InChI

InChI=1S/C8H9ClO2S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

5 names

Benzenesulfonyl chloride, 2,5-dimethyl-
2,5-Xylenesulfonyl chloride
2,5-Dimethylphenylsulfonyl chloride
p-Xylene-2-sulfonyl chloride
2,5-Dimethylbenzene-1-sulfonyl chloride

Work with 2,5-Dimethylbenzenesulfonyl 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-Fluoro-2-methylbenzenesulfonyl chloride445-05-664 % similar 2-Fluoro-5-methylbenzenesulfonyl chloride870704-14-664 % similar 6-Methoxy-M-toluenesulfonyl chloride88040-86-260 % similar 2-Fluoro-4-methylbenzenesulfonyl chloride518070-29-659 % similar 2-Methylbenzenesulfonyl chloride133-59-558 % similar 2,5-Dimethylbenzenesulfonic acid609-54-158 % similar 4-Toluenesulfonyl chloride98-59-957 % similar 2-Methyl-5-nitrobenzenesulfonyl chloride121-02-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Ethylbenzene-1-sulfonyl chloride16712-69-9 3,5-Dimethylbenzenesulfonyl chloride2905-27-3 3,4-Dimethylbenzenesulfonyl chloride2905-30-8 P-(Methylsulfonyl)benzyl chloride40517-43-9 4-Methylbenzylsulfonyl chloride51419-59-1 2,4-Dimethylbenzenesulfonyl chloride609-60-9 ((2-Chloroethyl)sulphonyl)benzene938-09-0

Elsewhere

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