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Substance Name: Thiocyanic acid, (1,4-benzodioxan-2-yl)methyl ester
RN: 51837-75-3
InChIKey: NIUTUCCPFPTZNP-UHFFFAOYSA-N

Molecular Formula

  • C10-H9-N-O2-S

Molecular Weight

  • 207.2521
 
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Names and Synonyms

Synonym

  • Thiocyanic acid, 1,4-benzodioxan-2-methyl ester

Systematic Name

  • Thiocyanic acid, (1,4-benzodioxan-2-yl)methyl ester

Registry Numbers

CAS Registry Number

  • 51837-75-3

System Generated Number

  • 0051837753

Structure Descriptors

InChI

1S/C10H9NO2S/c11-7-14-6-8-5-12-9-3-1-2-4-10(9)13-8/h1-4,8H,5-6H2

InChIKey

NIUTUCCPFPTZNP-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)OCC(O2)CSC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 24mg/kg (24mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07456,