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Substance Name: o-Tolylsulfonyl chloride
RN: 133-59-5
UNII: 341L82E3WG
InChIKey: HDECRAPHCDXMIJ-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-Cl-O2-S

Molecular Weight

  • 190.6493
 
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Names and Synonyms

Name of Substance

  • o-Tolylsulfonyl chloride

Synonyms

  • 2-Methylbenzenesulfonyl chloride
  • Benzenesulfonyl chloride, 2-methyl-
  • EINECS 205-113-0
  • HSDB 5618
  • NSC 9354
  • ortho-Toluenesulfochloride
  • ortho-Toluenesulfonchloride
  • ortho-Toluenesulfonyl chloride
  • UNII-341L82E3WG

Systematic Names

  • Benzenesulfonyl chloride, 2-methyl-
  • o-Toluenesulfonyl chloride (8CI)
  • Toluene-2-sulphonyl chloride

Registry Numbers

CAS Registry Number

  • 133-59-5

FDA UNII

  • 341L82E3WG

System Generated Number

  • 0000133595

Structure Descriptors

InChI

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

InChIKey

HDECRAPHCDXMIJ-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C)S(=O)(=O)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 10.2 deg C   EXP
log P (octanol-water) 3.490 (none)   EST
Water Solubility 51.2 mg/L 25 EST
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.