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Substance Name: Isothiocyanic acid, 5-chloro-o-tolyl ester
RN: 19241-36-2
InChIKey: VDBDGAPNWNWUSA-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-Cl-N-S

Molecular Weight

  • 183.661
 
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Names and Synonyms

Synonyms

  • 3-12-00-01913 (Beilstein Handbook Reference)
  • 5-Chloro-o-tolyl isothiocyanate
  • BRN 2717659
  • NSC 134677

Systematic Name

  • Isothiocyanic acid, 5-chloro-o-tolyl ester

Registry Numbers

CAS Registry Number

  • 19241-36-2

System Generated Number

  • 0019241362

Structure Descriptors

InChI

1S/C8H6ClNS/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3

InChIKey

VDBDGAPNWNWUSA-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)Cl)C)N=C=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07101,