4-Chloro-2,5-dimethylbenzenesulfonyl chloride

C8H8Cl2O2SCAS 88-49-3239.11 g/mol

Open in Covalent MOL file
SOOClCl
Aryl halide

Properties

Molecular formula
C8H8Cl2O2S
Molar mass
239.11 g/mol
Exact mass
237.9622 Da
logP
2.88Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 6 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
88-49-3
SMILES
Cc1cc(S(=O)(=O)Cl)c(C)cc1Cl
InChIKey
JBYZPUBAISWVDI-UHFFFAOYSA-N
InChI
InChI=1S/C8H8Cl2O2S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/h3-4H,1-2H3

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Names and synonyms

5 names
  • Benzenesulfonyl chloride, 4-chloro-2,5-dimethyl-
  • 2,5-Xylenesulfonyl chloride, 4-chloro-
  • 4-Chloro-2,5-xylenesulfonyl chloride
  • 2,5-Dimethyl-4-chlorobenzenesulfonyl chloride
  • 5-Chloro-p-xylene-2-sulphonyl chloride

Work with 4-Chloro-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

2,4-Dichloro-5-methylbenzenesulfonyl chloride28286-86-482 % similar 2,4,5-Trichlorobenzenesulfonyl chloride15945-07-062 % similar 4-Chloro-2,5-dimethylbenzenesulfonamide219689-73-361 % similar 2-Chloro-p-toluenesulfochloride42413-03-656 % similar 4-Bromo-2-methylbenzene-1-sulfonyl chloride139937-37-454 % similar 2,5-Dichloro-p-xylene1124-05-654 % similar 2,5-Dimethylbenzenesulfonyl chloride19040-62-153 % similar 2,4-Dimethylbenzenesulfonyl chloride609-60-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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