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Substance Name: Benzenesulfonyl chloride
RN: 98-09-9
UNII: OI9V0QJV9N
InChIKey: CSKNSYBAZOQPLR-UHFFFAOYSA-N

Molecular Formula

  • C6-H5-Cl-O2-S

Molecular Weight

  • 176.6225
 

Classification Codes

Classification Code

  • TSCA Flag T (Subject to the Final TSCA Section 4 Test Rule)

Superlist Classification Code

  • Reportable Quantity (RQ) = 100 lb
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Names and Synonyms

Name of Substance

  • Benzenesulfonyl chloride

Synonyms

  • 4-11-00-00049 (Beilstein Handbook Reference)
  • AI3-18043
  • Benezenesulfochloride
  • Benzene sulfochloride
  • Benzene sulfonechloride
  • Benzenesulfon chloride
  • Benzenesulfonic (acid) chloride
  • Benzenesulfonic chloride
  • Benzenesulfonic(acid)chloride
  • Benzenesulphonyl chloride
  • Benzenosulfochlorek
  • Benzenosulfochlorek [Polish]
  • Benzenosulfochloride
  • Benzenosulphochloride
  • Benzolsulfochloride
  • BRN 0606926
  • BSC-refine D
  • EC 202-636-6
  • EINECS 202-636-6
  • HSDB 6004
  • NSC 2864
  • Phenylsulfonyl chloride
  • RCRA waste number U020
  • UNII-OI9V0QJV9N

Systematic Names

  • Benzenesulfonyl chloride
  • Benzenesulphonyl chloride

Superlist Names

  • Benzene sulfonyl chloride
  • Benzene sulfonyl chloride [UN2225] [Corrosive]
  • Benzenesulfonic acid chloride
  • Benzenesulfonyl chloride
  • RCRA waste no. U020
  • UN2225

Registry Numbers

CAS Registry Number

  • 98-09-9

FDA UNII

  • OI9V0QJV9N

Other Registry Number

  • 114415-79-1

System Generated Number

  • 0000098099

Structure Descriptors

InChI

1S/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H

InChIKey

CSKNSYBAZOQPLR-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 828mg/kg (828mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(6), Pg. 19, 1971.
mouse LD50 oral 828mg/kg (828mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(6), Pg. 19, 1971.
rabbit LD50 oral 828mg/kg (828mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(6), Pg. 19, 1971.
rat LCLo inhalation 1870mg/m3/1H (1870mg/m3) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Office of Toxic Substances Report. Vol. OTS0510391,
rat LD50 intraperitoneal 76mg/kg (76mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Medycyna Pracy. Industrial Medicine. Vol. 20, Pg. 513, 1969.
rat LD50 oral 1960mg/kg (1960mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Medycyna Pracy. Industrial Medicine. Vol. 20, Pg. 513, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 14.5 deg C   EXP
Boiling Point 252 deg C   EXP
log P (octanol-water) 2.940 (none)   EST
Water Solubility 176 mg/L 25 EST
Henry's Law Constant 8.76E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.17E-13 cm3/molecule-sec 25 EST

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