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Substance Name: Isothiocyanic acid, (3,4-dichlorobenzyl) ester
RN: 18967-42-5
InChIKey: DPSSHXWTNIGVMQ-UHFFFAOYSA-N

Molecular Formula

  • C8-H5-Cl2-N-S

Molecular Weight

  • 218.107
 
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Names and Synonyms

Synonyms

  • 3,4-Dichlorobenzyl isothiocyanate
  • 4-12-00-02393 (Beilstein Handbook Reference)
  • BRN 2937608
  • Isothiocyanic acid, (3,4-dichlorobenzyl) ester
  • NSC 221245

Systematic Names

  • Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)- (9CI)
  • Isothiocyanic acid, (3,4-dichlorobenzyl) ester

Registry Numbers

CAS Registry Number

  • 18967-42-5

System Generated Number

  • 0018967425

Structure Descriptors

InChI

1S/C8H5Cl2NS/c9-7-2-1-6(3-8(7)10)4-11-5-12/h1-3H,4H2

InChIKey

DPSSHXWTNIGVMQ-UHFFFAOYSA-N

Smiles

c1(cc(c(Cl)cc1)Cl)CN=C=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 79mg/kg (79mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02807,