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Substance Name: Carbonylcyanide 4-chlorophenylhydrazone
RN: 946-76-9
InChIKey: LLQAOIITXFNWED-UHFFFAOYSA-N

Note

  • Protonophore.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H5-Cl-N4

Molecular Weight

  • 204.62
 
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Names and Synonyms

Name of Substance

  • Carbonylcyanide 4-chlorophenylhydrazone

Synonyms

  • ((4-Chlorophenyl)hydrazono)propanedinitrile
  • 3-15-00-00268 (Beilstein Handbook Reference)
  • BRN 1842095
  • Mesoxalonitrile, (p-chlorophenyl)hydrazone

Systematic Name

  • Propanedinitrile, ((4-chlorophenyl)hydrazono)-

Registry Numbers

CAS Registry Number

  • 946-76-9

System Generated Number

  • 0000946769

Structure Descriptors

InChI

1S/C9H5ClN4/c10-7-1-3-8(4-2-7)13-14-9(5-11)6-12/h1-4,13H

InChIKey

LLQAOIITXFNWED-UHFFFAOYSA-N

Smiles

c1cc(Cl)ccc1N\N=C(/C#N)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo 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) 3.39 (none)   EXP
Water Solubility 52.8 mg/L 25 EST
Vapor Pressure 5.67E-06 mm Hg 25 EST
Henry's Law Constant 4.29E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.25E-11 cm3/molecule-sec 25 EST

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