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Substance Name: Carbonyl cyanide 2-nitrophenylhydrazone
RN: 55653-13-9
InChIKey: NKWOBFAONPVDDE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H5-N5-O2

Molecular Weight

  • 215.171
 
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Names and Synonyms

Name of Substance

  • Carbonyl cyanide 2-nitrophenylhydrazone

Synonyms

  • ((2-Nitrophenyl)hydrazono)propanedinitrile
  • BRN 1821080
  • Mesoxalonitrile, (o-nitrophenyl)hydrazone

Systematic Name

  • Propanedinitrile, ((2-nitrophenyl)hydrazono)-

Registry Numbers

CAS Registry Number

  • 55653-13-9

System Generated Number

  • 0055653139

Structure Descriptors

InChI

1S/C9H5N5O2/c10-5-7(6-11)12-13-8-3-1-2-4-9(8)14(15)16/h1-4,13H

InChIKey

NKWOBFAONPVDDE-UHFFFAOYSA-N

Smiles

c1([N+]([O-])=O)ccccc1N\N=C(/C#N)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD subcutaneous > 100mg/kg (100mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 361, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.9 (none)   EXP
Water Solubility 49.6 mg/L 25 EST
Vapor Pressure 3.13E-07 mm Hg 25 EST
Henry's Law Constant 5.00E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.33E-12 cm3/molecule-sec 25 EST

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