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Substance Name: Benzamide, m-cyano- (8CI)
RN: 3441-01-8
InChIKey: PAQVSWFCADWSLB-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-N2-O

Molecular Weight

  • 146.148
 
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Names and Synonyms

Synonyms

  • 3-Cyanobenzamide
  • 4-09-00-03297 (Beilstein Handbook Reference)
  • BRN 1907971
  • m-Cyanobenzamide

Systematic Names

  • Benzamide, 3-cyano-
  • Benzamide, m-cyano- (8CI)

Registry Numbers

CAS Registry Number

  • 3441-01-8

System Generated Number

  • 0003441018

Structure Descriptors

InChI

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

InChIKey

PAQVSWFCADWSLB-UHFFFAOYSA-N

Smiles

NC(=O)c1cc(C#N)ccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1623mg/kg (1623mg/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 1541mg/kg (1541mg/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.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.52 (none)   EXP
Water Solubility 1.54E+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 2.31E-12 cm3/molecule-sec 25 EST

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