chempirical

3,4-Dimethylbenzenesulfonyl chloride

C8H9ClO2SCAS 2905-30-8204.67 g/mol

Open in Covalent MOL file
SOOCl
HalogenSulfone

Properties

Molecular formula
C8H9ClO2S
Molar mass
204.67 g/mol
Exact mass
204.0012 Da
Melting point
52 °C
Boiling point
160–162 °C (at 12 Torr)
logP
2.23Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
2905-30-8
SMILES
Cc1ccc(S(=O)(=O)Cl)cc1C
InChIKey
DNMQPRPJIWTNAX-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO2S/c1-6-3-4-8(5-7(6)2)12(9,10)11/h3-5H,1-2H3

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Names and synonyms

5 names
  • Benzenesulfonyl chloride, 3,4-dimethyl-
  • 3,4-Xylenesulfonyl chloride
  • 4-(Chlorosulfonyl)-1,2-dimethylbenzene
  • 3,4-Dimethylbenzene-1-sulfonyl chloride
  • 3,4-Dimethylbenzenesulphonyl chloride

Work with 3,4-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

Same formula

2,5-Dimethylbenzenesulfonyl chloride19040-62-1 3,5-Dimethylbenzenesulfonyl chloride2905-27-3 2,4-Dimethylbenzenesulfonyl chloride609-60-9 [(2-Chloroethyl)sulfonyl]benzene938-09-0

Elsewhere

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