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Substance Name: p-Toluenesulfonyl chloride
RN: 98-59-9
UNII: 027KYN78B4
InChIKey: YYROPELSRYBVMQ-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-Cl-O2-S

Molecular Weight

  • 190.6493
 
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Names and Synonyms

Name of Substance

  • 4-Toluenesulfonyl chloride
  • p-Toluenesulfonyl chloride

Synonyms

  • 4-Methylbenzenesulfonyl chloride
  • 4-Toluenesulfonic acid, chloride
  • 4-Toluenesulfonyl chloride
  • AI3-52254
  • Benzenesulfonyl chloride, 4-methyl-
  • EC 202-684-8
  • EINECS 202-684-8
  • HSDB 5317
  • NSC 175822
  • p-Methylbenzenesulfonyl chloride
  • p-Toluenesulfochloride
  • p-Toluenesulfonic acid chloride
  • p-Toluenesulfonyl chloride
  • p-Toluenesulphonyl chloride
  • p-Tolylsulfonyl chloride
  • p-Tosyl chloride
  • para-Toluenesulfochloride
  • para-Toluenesulfonyl chloride
  • Toluenesulfonyl chloride (VAN)
  • Tosyl chloride
  • UNII-027KYN78B4

Systematic Names

  • Benzenesulfonyl chloride, 4-methyl-
  • p-Toluenesulfonyl chloride (8CI)
  • Tosyl chloride

Registry Numbers

CAS Registry Number

  • 98-59-9

FDA UNII

  • 027KYN78B4

System Generated Number

  • 0000098599

Structure Descriptors

InChI

1S/C7H7ClO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3

InChIKey

YYROPELSRYBVMQ-UHFFFAOYSA-N

Smiles

S(=O)(=O)(c1ccc(cc1)C)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 71 deg C   EXP
log P (octanol-water) 3.490 (none)   EST
Water Solubility 51.2 mg/L 25 EST
Vapor Pressure 0.5 mm Hg 75 EXP
Henry's Law Constant 9.67E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.22E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.