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Substance Name: Benzamide, m-chloro- (8CI)
RN: 618-48-4
InChIKey: MJTGQALMWUUPQM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H6-Cl-N-O

Molecular Weight

  • 155.583
 
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Names and Synonyms

Synonyms

  • 3-Chlorobenzamide
  • 4-09-00-00972 (Beilstein Handbook Reference)
  • BRN 1859940
  • EINECS 210-554-7
  • m-Chlorobenzamide

Systematic Names

  • Benzamide, 3-chloro-
  • Benzamide, m-chloro- (8CI)
  • m-Chlorobenzamide

Registry Numbers

CAS Registry Number

  • 618-48-4

System Generated Number

  • 0000618484

Structure Descriptors

InChI

1S/C7H6ClNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)

InChIKey

MJTGQALMWUUPQM-UHFFFAOYSA-N

Smiles

NC(=O)c1cc(Cl)ccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 335, 1994.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.51 (none)   EXP
Water Solubility 3680 mg/L 25 EST
Vapor Pressure 1.65E-04 mm Hg 25 EST
Henry's Law Constant 1.64E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.58E-12 cm3/molecule-sec 25 EST

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