Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzene, 1-chloro-3-(isothiocyanatomethyl)- (9CI)
RN: 3694-58-4
InChIKey: GGNLZOLEJMSOKU-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-Cl-N-S

Molecular Weight

  • 183.661
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-Chloro-3-(isothiocyanatomethyl)benzene
  • 3-Chlorobenzyl isothiocyanate
  • 4-12-00-02365 (Beilstein Handbook Reference)
  • BRN 2085926
  • Isothiocyanic acid, 3-chlorobenzyl ester
  • m-Chlorobenzyl isothiocyanate

Systematic Names

  • Benzene, 1-chloro-3-(isothiocyanatomethyl)- (9CI)
  • Isothiocyanic acid, m-chlorobenzyl ester

Registry Numbers

CAS Registry Number

  • 3694-58-4

System Generated Number

  • 0003694584

Structure Descriptors

InChI

1S/C8H6ClNS/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2

InChIKey

GGNLZOLEJMSOKU-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)Cl)CN=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#07917,