2,4-Dimethylbenzenesulfonyl chloride

C8H9ClO2SCAS 609-60-9204.67 g/mol

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SOOCl

Properties

Molecular formula
C8H9ClO2S
Molar mass
204.67 g/mol
Exact mass
204.0012 Da
Melting point
29–31 °C
Boiling point
152–154 °C (at 12 Torr)
logP
2.23Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
609-60-9
SMILES
Cc1ccc(S(=O)(=O)Cl)c(C)c1
InChIKey
FREOGXBZEAMJQN-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO2S/c1-6-3-4-8(7(2)5-6)12(9,10)11/h3-5H,1-2H3

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Names and synonyms

6 names
  • Benzenesulfonyl chloride, 2,4-dimethyl-
  • 2,4-Xylenesulfonyl chloride
  • 2,4-Dimethylphenylsulfonyl chloride
  • 3,5-Dimethylbenzene-2-sulfonyl chloride
  • 2,4-Dimethylbenzene-1-sulfonylchloride
  • 2,4-Dimethylbenzene-1-sulfonyl chloride

Work with 2,4-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

4-Bromo-2-methylbenzene-1-sulfonyl chloride139937-37-464 % similar 2-Fluoro-4-methylbenzenesulfonyl chloride518070-29-664 % similar 4-Fluoro-2-methylbenzenesulfonyl chloride7079-48-364 % similar 2-Fluoro-5-methylbenzenesulfonyl chloride870704-14-659 % similar 2-Methylbenzenesulfonyl chloride133-59-558 % similar Mesitylenesulfonyl chloride773-64-858 % similar 2,4-Dimethylbenzenesulfonic acid88-61-958 % similar 6-Methoxy-M-toluenesulfonyl chloride88040-86-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Ethylbenzene-1-sulfonyl chloride16712-69-9 2,5-Dimethylbenzenesulfonyl chloride19040-62-1 3,5-Dimethylbenzenesulfonyl chloride2905-27-3 3,4-Dimethylbenzenesulfonyl chloride2905-30-8 P-(Methylsulfonyl)benzyl chloride40517-43-9 4-Methylbenzylsulfonyl chloride51419-59-1 ((2-Chloroethyl)sulphonyl)benzene938-09-0

Elsewhere

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