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Substance Name: 2-Methylbenzenesulfonic acid
RN: 88-20-0
UNII: 4ZHF5BMF7N
InChIKey: LBLYYCQCTBFVLH-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-O3-S

Molecular Weight

  • 172.203
 
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Names and Synonyms

Name of Substance

  • 2-Methylbenzenesulfonic acid

Synonyms

  • EINECS 201-809-3
  • UNII-4ZHF5BMF7N

Systematic Names

  • Benzenesulfonic acid, 2-methyl-
  • Toluene-2-sulphonic acid

Registry Numbers

CAS Registry Number

  • 88-20-0

FDA UNII

  • 4ZHF5BMF7N

System Generated Number

  • 0000088200

Structure Descriptors

InChI

1S/C7H8O3S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H,8,9,10)

InChIKey

LBLYYCQCTBFVLH-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 67.5 deg C   EXP
log P (octanol-water) -0.620 (none)   EST
Water Solubility 2.02E+05 mg/L 25 EST
Henry's Law Constant 2.78E-09 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.