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Substance Name: Benzenesulfonic acid
RN: 98-11-3
UNII: 685928Z18A
InChIKey: SRSXLGNVWSONIS-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H6-O3-S

Molecular Weight

  • 158.1764
 
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Names and Synonyms

Name of Substance

  • Benzenesulfonic acid

Synonyms

  • 17-120A
  • 4-11-00-00027 (Beilstein Handbook Reference)
  • AI3-15297
  • Benzene sulphonic acid
  • Benzenemonosulfonic acid
  • Besylic acid
  • Blu-gard snitizing teat dip
  • Blu-shield (teat dip) solution
  • BRN 0742513
  • CCRIS 4595
  • EC 202-638-7
  • EINECS 202-638-7
  • HSDB 2642
  • Kyselina benzensulfonova
  • Kyselina benzensulfonova [Czech]
  • Phenylsulfonic acid
  • UNII-685928Z18A

Systematic Names

  • Benzenesulfonic acid
  • Benzenesulphonic acid

Superlist Name

  • Benzenesulfonic acid

Registry Numbers

CAS Registry Number

  • 98-11-3

FDA UNII

  • 685928Z18A

Related Registry Numbers

  • 19402-64-3 (ammonium salt)
  • 20199-75-1 (zinc salt, hexahydrate)
  • 515-42-4 (hydrochloride salt)
  • 7645-18-3 (zinc salt)
  • 934-54-3 (calcium salt)
  • 934-55-4 (potassium salt)

System Generated Number

  • 0000098113

Structure Descriptors

InChI

1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)

InChIKey

SRSXLGNVWSONIS-UHFFFAOYSA-N

Smiles

c1(ccccc1)S(O)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 75mg/kg (75mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
cat LDLo skin 10gm/kg (10000mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE WEAKNESS

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945.
rat LD50 oral 890uL/kg (0.89mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 65 deg C   EXP
pKa Dissociation Constant 2.554 (none)   EXP
log P (octanol-water) -2.250 (none)   EST
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 2.36E-05 mm Hg 25 EST
Henry's Law Constant 2.52E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.57E-13 cm3/molecule-sec 25 EST

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