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Substance Name: 5-Nitrobenzimidazole
RN: 94-52-0
UNII: A7V95AYT2T
InChIKey: XPAZGLFMMUODDK-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Experimental Pesticide
  • Mutation Data
  • Tumor Data
  • Unspecified / Unclassified Pesticide

Molecular Formula

  • C7-H5-N3-O2

Molecular Weight

  • 163.1355
 
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Names and Synonyms

Name of Substance

  • 5-Nitrobenzimidazole

Synonyms

  • 1H-Benzimidazole, 5-nitro-
  • 5(6)-Nitrobenzimidazole
  • 5-Nitro-1H-benzimidazole
  • 5-Nitrobenzimidazole
  • 6-Nitro-benzimidazole
  • AI3-52609
  • Benzimidazole, 5-nitro-
  • Benzimidazole, 6-nitro-
  • CCRIS 442
  • EINECS 202-341-2
  • HSDB 2864
  • NCI-C01912
  • NSC 3068
  • NSC 58858
  • UNII-A7V95AYT2T

Systematic Names

  • 1H-Benzimidazole, 5-nitro-
  • 1H-Benzimidazole, 6-nitro-
  • 5-Nitrobenzimidazole
  • 6-Nitrobenzimidazole
  • Benzimidazole, 5(or 6)-nitro- (6CI,7CI)
  • Benzimidazole, 5-nitro- (8CI)
  • Benzimidazole, 6-nitro-

Superlist Name

  • 6-Nitrobenzimidazole

Registry Numbers

CAS Registry Number

  • 94-52-0

FDA UNII

  • A7V95AYT2T

Other Registry Number

  • 89843-47-0

System Generated Number

  • 0000094520

Structure Descriptors

InChI

1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)

InChIKey

XPAZGLFMMUODDK-UHFFFAOYSA-N

Smiles

c1cc2c(cc1[N+](=O)[O-])nc[nH]2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 22, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 208 deg C   EXP
log P (octanol-water) 1.050 (none)   EST
Water Solubility 58.2 mg/L 25 EST
Vapor Pressure 1.73E-07 mm Hg 25 EST
Henry's Law Constant 1.45E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.50E-12 cm3/molecule-sec 25 EST

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