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Substance Name: Benzonitrile, 4-chloro-3-nitro-
RN: 939-80-0
InChIKey: XBLPHYSLHRGMNW-UHFFFAOYSA-N

Molecular Formula

  • C7-H3-Cl-N2-O2

Molecular Weight

  • 182.566
 
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Names and Synonyms

Synonyms

  • 4-09-00-01227 (Beilstein Handbook Reference)
  • 4-Chlor-3-nitrobenzonitril
  • 4-Chlor-3-nitrobenzonitril [Czech]
  • 4-Chloro-3-nitrobenzonitrile
  • BRN 1639111
  • EINECS 213-364-2

Systematic Names

  • 4-Chloro-3-nitrobenzonitrile
  • Benzonitrile, 4-chloro-3-nitro-

Registry Numbers

CAS Registry Number

  • 939-80-0

System Generated Number

  • 0000939800

Structure Descriptors

InChI

1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H

InChIKey

XBLPHYSLHRGMNW-UHFFFAOYSA-N

Smiles

c1(cc(ccc1Cl)C#N)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2050mg/kg (2050mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 909, 1986.