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Substance Name: Benzene, 1-iodo-4-(isothiocyanatomethyl)- (9CI)
RN: 3694-49-3
InChIKey: QMNNXEXDGXWBME-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-I-N-S

Molecular Weight

  • 275.108
 
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Names and Synonyms

Synonyms

  • 4-12-00-02399 (Beilstein Handbook Reference)
  • 4-Iodobenzyl isothiocyanate
  • BRN 2085924

Systematic Names

  • Benzene, 1-iodo-4-(isothiocyanatomethyl)- (9CI)
  • Isothiocyanic acid, p-iodobenzyl ester

Registry Numbers

CAS Registry Number

  • 3694-49-3

System Generated Number

  • 0003694493

Structure Descriptors

InChI

1S/C8H6INS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2

InChIKey

QMNNXEXDGXWBME-UHFFFAOYSA-N

Smiles

c1(ccc(I)cc1)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#02866,