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Substance Name: 4-Chlorobenzenesulfinic acid
RN: 100-03-8
UNII: RK78NW65EY
InChIKey: AOQYAMDZQAEDLO-UHFFFAOYSA-N

Molecular Formula

  • C6-H5-Cl-O2-S

Molecular Weight

  • 176.6225
 
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Names and Synonyms

Name of Substance

  • 4-Chlorobenzenesulfinic acid

Synonyms

  • 4-11-00-00006 (Beilstein Handbook Reference)
  • 4-Chlorobenzenesulfinic acid
  • BRN 2356583
  • EINECS 202-812-2
  • p-Chlorobenzenesulfinic acid
  • UNII-RK78NW65EY

Systematic Names

  • Benzenesulfinic acid, 4-chloro-
  • Benzenesulfinic acid, p-chloro-
  • p-Chlorobenzenesulphinic acid

Registry Numbers

CAS Registry Number

  • 100-03-8

FDA UNII

  • RK78NW65EY

Other Registry Numbers

  • 1081764-67-1
  • 113371-82-7
  • 171898-97-8
  • 27886-79-9
  • 49865-88-5
  • 68716-73-4

System Generated Number

  • 0000100038

Structure Descriptors

InChI

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

InChIKey

AOQYAMDZQAEDLO-UHFFFAOYSA-N

Smiles

c1cc(ccc1S(=O)O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04978,
rat LD50 oral > 500mg/kg (500mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 25, Pg. 501, 1977.