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Substance Name: Benzo-1,3-dioxole-5-carbonitrile
RN: 4421-09-4
InChIKey: PKRWWZCDLJSJIF-UHFFFAOYSA-N

Molecular Formula

  • C8-H5-N-O2

Molecular Weight

  • 147.133
 
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Names and Synonyms

Synonyms

  • 3,4-Methylenedioxybenzonitrile
  • 5-19-07-00303 (Beilstein Handbook Reference)
  • AI3-31574
  • Benzonitrile, 3,4-methylenedioxy-
  • BRN 0006224
  • EINECS 224-590-6
  • NSC 27009
  • Piperonylonitrile

Systematic Names

  • Benzo-1,3-dioxole-5-carbonitrile
  • Piperonylonitrile

Registry Numbers

CAS Registry Number

  • 4421-09-4

System Generated Number

  • 0004421094

Structure Descriptors

InChI

1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2

InChIKey

PKRWWZCDLJSJIF-UHFFFAOYSA-N

Smiles

N#Cc1cc2OCOc2cc1

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#04711,