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Substance Name: 4-Methylbenzenesulfonyl isocyanate
RN: 4083-64-1
UNII: H9004FJX6V
InChIKey: VLJQDHDVZJXNQL-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-N-O3-S

Molecular Weight

  • 197.213
 
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Names and Synonyms

Name of Substance

  • 4-Methylbenzenesulfonyl isocyanate

Synonyms

  • EC 223-810-8
  • EINECS 223-810-8
  • UNII-H9004FJX6V

Systematic Names

  • Benzenesulfonyl isocyanate, 4-methyl-
  • p-Toluenesulphonyl isocyanate

Superlist Name

  • p-Toluenesulfonic acid, anhydride with isocyanic acid

Registry Numbers

CAS Registry Number

  • 4083-64-1

FDA UNII

  • H9004FJX6V

Other Registry Number

  • 102086-99-7

System Generated Number

  • 0004083641

Structure Descriptors

InChI

1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3

InChIKey

VLJQDHDVZJXNQL-UHFFFAOYSA-N

Smiles

O=C=NS(=O)(=O)c1ccc(cc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation > 640ppm/1H (640ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
International Journal of Toxicology. Vol. 19, Pg. 368, 2000.
rat LD50 intraperitoneal 775mg/kg (775mg/kg) BEHAVIORAL: GENERAL ANESTHETIC International Journal of Toxicology. Vol. 19, Pg. 368, 2000.
rat LD50 oral 2234mg/kg (2234mg/kg) GASTROINTESTINAL: OTHER CHANGES International Journal of Toxicology. Vol. 19, Pg. 368, 2000.