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Substance Name: Acetonitrile, (3,4,5-trimethoxyphenyl)-
RN: 13338-63-1
InChIKey: ACFJNTXCEQCDBX-UHFFFAOYSA-N

Molecular Formula

  • C11-H13-N-O3

Molecular Weight

  • 207.228
 
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Names and Synonyms

Synonyms

  • 3,4,5-Trimethoxybenzeneacetonitrile
  • 3,4,5-Trimethoxybenzyl cyanide
  • 3,4,5-Trimethoxybenzylnitrile
  • 3,4,5-Trimethoxyphenylacetonitrile
  • 3,4,5-Trimethoxyphenylacetylnitryl
  • 4-10-00-02033 (Beilstein Handbook Reference)
  • BRN 2214548
  • EINECS 236-388-5
  • NSC 97556

Systematic Names

  • 3,4,5-Trimethoxyphenylacetonitrile
  • Acetonitrile, (3,4,5-trimethoxyphenyl)-
  • Benzeneacetonitrile, 3,4,5-trimethoxy- (9CI)

Registry Numbers

CAS Registry Number

  • 13338-63-1

System Generated Number

  • 0013338631

Structure Descriptors

InChI

1S/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H3

InChIKey

ACFJNTXCEQCDBX-UHFFFAOYSA-N

Smiles

c1(c(cc(CC#N)cc1OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04092,