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Substance Name: 2-Chlorobenzamide
RN: 609-66-5
UNII: KE1M5I9I32
InChIKey: RBGDLYUEXLWQBZ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C7-H6-Cl-N-O

Molecular Weight

  • 155.583
 
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Names and Synonyms

Name of Substance

  • 2-Chlorobenzamide

Synonyms

  • 2-Chlorobenzamide
  • 4-09-00-00963 (Beilstein Handbook Reference)
  • AI3-09664
  • Benzamide, o-chloro-
  • BRN 0508510
  • EC 210-195-6
  • EINECS 210-195-6
  • NSC 406895
  • o-Chlorobenzamide
  • UNII-KE1M5I9I32

Systematic Names

  • 2-Chlorobenzamide
  • Benzamide, 2-chloro-
  • Benzamide, o-chloro-

Registry Numbers

CAS Registry Number

  • 609-66-5

FDA UNII

  • KE1M5I9I32

System Generated Number

  • 0000609665

Structure Descriptors

InChI

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

InChIKey

RBGDLYUEXLWQBZ-UHFFFAOYSA-N

Smiles

NC(=O)c1ccccc1Cl

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.
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 53, 1954.
rat LC50 inhalation > 94mg/m3/4H (94mg/m3)   National Technical Information Service. Vol. OTS0543275,
rat LD50 oral 1250mg/kg (1250mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0543275,
rat LD50 skin > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. OTS0543275,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 143 deg C   EXP
log P (octanol-water) 0.64 (none)   EXP
Water Solubility 2.04E+04 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 3.25E-12 cm3/molecule-sec 25 EST

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