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Substance Name: p-Cyanobenzamide
RN: 3034-34-2
UNII: 3P9UG7V78S
InChIKey: FUKWTMJZHKZKFA-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-N2-O

Molecular Weight

  • 146.148
 
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Names and Synonyms

Name of Substance

  • p-Cyanobenzamide

Synonyms

  • 4-09-00-03327 (Beilstein Handbook Reference)
  • 4-Cyanobenzamide
  • BRN 2043265
  • EINECS 221-223-1
  • p-Cyanobenzamide
  • UNII-3P9UG7V78S

Systematic Names

  • Benzamide, 4-cyano-
  • Benzamide, p-cyano- (8CI)
  • p-Cyanobenzamide

Registry Numbers

CAS Registry Number

  • 3034-34-2

FDA UNII

  • 3P9UG7V78S

System Generated Number

  • 0003034342

Structure Descriptors

InChI

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

InChIKey

FUKWTMJZHKZKFA-UHFFFAOYSA-N

Smiles

NC(=O)c1ccc(C#N)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1620mg/kg (1620mg/kg)   Annales Pharmaceutiques Francaises. Vol. 41, Pg. 391, 1983.
mouse LD50 intraperitoneal 783mg/kg (783mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Annales Pharmaceutiques Francaises. Vol. 48, Pg. 23, 1990.
rat LD50 intraperitoneal 609mg/kg (609mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Annales Pharmaceutiques Francaises. Vol. 48, Pg. 23, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.48 (none)   EXP
Water Solubility 1.67E+04 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.