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Substance Name: Benzamide, 2-cyano-
RN: 17174-98-0
InChIKey: STQPCKPKAIRSEL-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-N2-O

Molecular Weight

  • 146.148
 
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Names and Synonyms

Synonyms

  • 2-Cyanobenzamide
  • 4-09-00-03268 (Beilstein Handbook Reference)
  • AI3-03760
  • Benzamide, 2-cyano-
  • Benzamide, o-cyano-
  • BRN 2085900
  • EINECS 241-224-0
  • NSC 28289
  • o-Cyanobenzamide

Systematic Names

  • Benzamide, 2-cyano-
  • Benzamide, o-cyano- (8CI)
  • o-Cyanobenzamide

Registry Numbers

CAS Registry Number

  • 17174-98-0

System Generated Number

  • 0017174980

Structure Descriptors

InChI

1S/C8H6N2O/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H2,10,11)

InChIKey

STQPCKPKAIRSEL-UHFFFAOYSA-N

Smiles

C(c1c(C#N)cccc1)(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 545mg/kg (545mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Annales Pharmaceutiques Francaises. Vol. 48, Pg. 23, 1990.
rat LD50 intraperitoneal 391mg/kg (391mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Annales Pharmaceutiques Francaises. Vol. 48, Pg. 23, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.0 (none)   EXP
Water Solubility 2100 mg/L 25 EST
Vapor Pressure 1.69E-05 mm Hg 25 EST
Henry's Law Constant 2.14E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.23E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.