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Substance Name: Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester
RN: 73909-01-0
InChIKey: IJNOBAXRYUVXNC-UHFFFAOYSA-N

Molecular Formula

  • C9-H8-N2-O3-S

Molecular Weight

  • 224.2392
 
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Names and Synonyms

Synonyms

  • 2-Methoxy-5-nitrobenzyl thiocyanate
  • Thiocyanic acid, (2-methoxy-5-nitrophenyl)methyl ester

Systematic Name

  • Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester

Registry Numbers

CAS Registry Number

  • 73909-01-0

System Generated Number

  • 0073909010

Structure Descriptors

InChI

1S/C9H8N2O3S/c1-14-9-3-2-8(11(12)13)4-7(9)5-15-6-10/h2-4H,5H2,1H3

InChIKey

IJNOBAXRYUVXNC-UHFFFAOYSA-N

Smiles

COc1ccc(cc1CSC#N)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01843,