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Substance Name: p-Toluenesulfinic acid
RN: 536-57-2
UNII: H3F863QFL6
InChIKey: FXJVNINSOKCNJP-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-O2-S

Molecular Weight

  • 156.204
 
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Names and Synonyms

Name of Substance

  • 4-Toluenesulfinic acid
  • p-Toluenesulfinic acid

Synonyms

  • EINECS 208-638-3
  • UNII-H3F863QFL6

Systematic Names

  • Benzenesulfinic acid, 4-methyl-
  • Toluene-4-sulphinic acid

Registry Numbers

CAS Registry Number

  • 536-57-2

FDA UNII

  • H3F863QFL6

Other Registry Numbers

  • 1081750-25-5
  • 109100-36-9
  • 112639-34-6
  • 113659-81-7
  • 171898-89-8
  • 37643-57-5
  • 68716-72-3
  • 75910-55-3
  • 99717-60-9

Related Registry Numbers

  • 16844-27-2 (lithium salt)
  • 24345-02-6 (zinc salt)
  • 824-79-3 (hydrochloride salt)

System Generated Number

  • 0000536572

Structure Descriptors

InChI

1S/C7H8O2S/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3,(H,8,9)

InChIKey

FXJVNINSOKCNJP-UHFFFAOYSA-N

Smiles

c1([S@@](O)=O)ccc(C)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 86.5 deg C   EXP
log P (octanol-water) -0.620 (none)   EST
Water Solubility 2.41E+05 mg/L 25 EST
Henry's Law Constant 2.21E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.36E-12 cm3/molecule-sec 25 EST

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