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Substance Name: Benzonitrile, 3,5-dinitro-
RN: 4110-35-4
InChIKey: SSDNULNTQAUNFQ-UHFFFAOYSA-N

Molecular Formula

  • C7-H3-N3-O4

Molecular Weight

  • 193.118
 
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Names and Synonyms

Synonyms

  • 3,5-Dinitrobenzonitrile
  • EINECS 223-889-9

Systematic Names

  • 3,5-Dinitrobenzonitrile
  • Benzonitrile, 3,5-dinitro-

Registry Numbers

CAS Registry Number

  • 4110-35-4

System Generated Number

  • 0004110354

Structure Descriptors

InChI

1S/C7H3N3O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H

InChIKey

SSDNULNTQAUNFQ-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1)C#N)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Farmaco, Edizione Scientifica. Vol. 41, Pg. 41, 1986.
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05215,