chempirical

4-Toluenesulfonyl chloride

C7H7ClO2SCAS 98-59-9190.64 g/mol

Open in Covalent MOL file
SOOCl
HalogenSulfone

Properties

Molecular formula
C7H7ClO2S
Molar mass
190.64 g/mol
Exact mass
189.9855 Da
Melting point
69–71 °C
Boiling point
146 °C (at 15 Torr)
logP
1.92Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
98-59-9
SMILES
Cc1ccc(S(=O)(=O)Cl)cc1
InChIKey
YYROPELSRYBVMQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3

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Names and synonyms

18 names · show all
  • Benzenesulfonyl chloride, 4-methyl-
  • p-Toluenesulfonyl chloride
  • 4-Methylbenzenesulfonyl chloride
  • p-Methylbenzenesulfonyl chloride
  • Tosyl chloride
  • p-Toluenesulfochloride
  • p-Tosyl chloride
  • p-Tolylsulfonyl chloride
  • Toluenesulfonyl chloride
  • p-Toluenesulfonic acid chloride
  • p-Methylphenylsulfonyl chloride
  • 4-Tosyl chloride
  • p-Toluenesulfonic chloride
  • 4-Methylphenylsulfonyl chloride
  • NSC 175822
  • 4-Toluolsulfonyl chloride
  • 4-Methylbenzene-1-sulfonyl chloride
  • 4-Methylbenzenesulphonyl chloride

Work with 4-Toluenesulfonyl 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-Methylbenzenesulfonyl chloride133-59-5 Benzenemethanesulfonyl chloride1939-99-7 [(Chloromethyl)sulfonyl]benzene7205-98-3 1-Chloro-4-(methylsulfonyl)benzene98-57-7

Elsewhere

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