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Substance Name: Benzamide, 3-nitro-
RN: 645-09-0
InChIKey: KWAYEPXDGHYGRW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H6-N2-O3

Molecular Weight

  • 166.135
 
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Names and Synonyms

Synonyms

  • 3-Nitrobenzamide
  • 4-09-00-01061 (Beilstein Handbook Reference)
  • Benzamide, m-nitro-
  • BRN 0777185
  • EINECS 211-431-0
  • m-Nitrobenzamide
  • NSC 37327

Systematic Names

  • 3-Nitrobenzamide
  • Benzamide, 3-nitro-
  • Benzamide, m-nitro- (8CI)

Registry Numbers

CAS Registry Number

  • 645-09-0

System Generated Number

  • 0000645090

Structure Descriptors

InChI

1S/C7H6N2O3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H,(H2,8,10)

InChIKey

KWAYEPXDGHYGRW-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)[N+](=O)[O-])C(N)=O

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
Melting Point 142.7 deg C   EXP
Boiling Point 312.5 deg C   EXP
log P (octanol-water) 0.77 (none)   EXP
Water Solubility 5750 mg/L 25 EST
Vapor Pressure 8.09E-06 mm Hg 25 EST
Henry's Law Constant 8.74E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.22E-12 cm3/molecule-sec 25 EST

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