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Substance Name: Isothiocyanic acid, 2-cyanoethyl ester
RN: 18967-32-3
InChIKey: NLXGQEJKDMXLBG-UHFFFAOYSA-N

Molecular Formula

  • C4-H4-N2-S

Molecular Weight

  • 112.156
 
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Names and Synonyms

Synonyms

  • 2-Cyanoethyl isothiocyanate
  • 4-04-00-02556 (Beilstein Handbook Reference)
  • BRN 1701175

Systematic Name

  • Isothiocyanic acid, 2-cyanoethyl ester

Registry Numbers

CAS Registry Number

  • 18967-32-3

System Generated Number

  • 0018967323

Structure Descriptors

InChI

1S/C4H4N2S/c5-2-1-3-6-4-7/h1,3H2

InChIKey

NLXGQEJKDMXLBG-UHFFFAOYSA-N

Smiles

C(CC#N)N=C=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 71mg/kg (71mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06248,