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Substance Name: Isothiocyanic acid m-xylylene ester
RN: 28170-90-3
UNII: 1Q4IQ92LJI
InChIKey: MSYVWTFRPITMBO-UHFFFAOYSA-N

Molecular Formula

  • C10-H8-N2-S2

Molecular Weight

  • 220.319
 
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Names and Synonyms

Name of Substance

  • Isothiocyanic acid m-xylylene ester

Synonyms

  • Benzene, 1,3-bis(isothiocyanatomethyl)-
  • BRN 4999093
  • Isothiocanic acid, m-xylylene diester
  • Isothiocyanic acid, m-phenylenedimethylene ester
  • NSC 159971
  • UNII-1Q4IQ92LJI

Systematic Name

  • Isothiocyanic acid m-xylylene ester

Registry Numbers

CAS Registry Number

  • 28170-90-3

FDA UNII

  • 1Q4IQ92LJI

System Generated Number

  • 0028170903

Structure Descriptors

InChI

1S/C10H8N2S2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2

InChIKey

MSYVWTFRPITMBO-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)CN=C=S)CN=C=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08308,