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Substance Name: p-Toluenesulfonic acid monohydrate
RN: 6192-52-5
UNII: 3BTO78GAFF
InChIKey: KJIFKLIQANRMOU-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-O3-S.H2-O

Molecular Weight

  • 190.218
 
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Names and Synonyms

Name of Substance

  • p-Toluenesulfonic acid monohydrate

Synonyms

  • 4-Methylbenzenesulfonic acid monohydrate
  • UNII-3BTO78GAFF

Systematic Name

  • Benzenesulfonic acid, 4-methyl-, monohydrate

Registry Numbers

CAS Registry Number

  • 6192-52-5

FDA UNII

  • 3BTO78GAFF

Related Registry Number

  • 104-15-4 (Parent)

System Generated Number

  • 0006192525

Molecular Formulas

Molecular Formula

  • C7-H8-O3-S.H2-O

Molecular Formula Fragments

  • C7-H8-O3-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C7H8O3S.H2O/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2

InChIKey

KJIFKLIQANRMOU-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1683mg/kg (1683mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Toksikologicheskii Vestnik. Vol. (6), Pg. 29, 1997.
rat LD50 oral 2570mg/kg (2570mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Toksikologicheskii Vestnik. Vol. (6), Pg. 29, 1997.