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Substance Name: 4-Toluenesulfonyl fluoride
RN: 455-16-3
InChIKey: IZZYABADQVQHLC-UHFFFAOYSA-N

Note

  • Inhibitor of peptide hydrolases.

Classification Codes

  • Enzyme Inhibitors
  • Protease Inhibitors

Molecular Formula

  • C7-H7-F-O2-S

Molecular Weight

  • 174.1943
 
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Names and Synonyms

Name of Substance

  • 4-Toluenesulfonyl fluoride

Synonyms

  • 4-11-00-00375 (Beilstein Handbook Reference)
  • 4-Methylbenzenesulfonyl fluoride
  • 4-Tolylsulfonyl fluoride
  • BRN 2208423
  • EINECS 207-238-6
  • NSC 2749
  • p-Methylbenzenesulfonyl fluoride
  • p-Methylphenylsulfonyl fluoride
  • p-Toluenesulfonyl fluoride
  • Phenylmethylsulfonyl fluoride
  • Toluene-4-sulfonyl fluoride
  • Toluene-p-sulphonyl fluoride
  • Tosyl fluoride

Systematic Names

  • 4-Methylbenzenesulfonyl fluoride
  • Benzenesulfonyl fluoride, 4-methyl-
  • p-Toluenesulfonyl fluoride
  • p-Toluenesulphonyl fluoride

Registry Numbers

CAS Registry Number

  • 455-16-3

System Generated Number

  • 0000455163

Structure Descriptors

InChI

1S/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3

InChIKey

IZZYABADQVQHLC-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 200mg/kg (200mg/kg)   Nature. Vol. 173, Pg. 33, 1954.
rat LDLo oral 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 1, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 41.5 deg C   EXP
log P (octanol-water) 2.74 (none)   EXP
Water Solubility 269 mg/L 25 EST
Vapor Pressure 5.36E-03 mm Hg 25 EST
Henry's Law Constant 1.72E-05 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.