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Substance Name: Malononitrile, (p-nitrophenyl)hydrazone
RN: 3722-12-1
InChIKey: WPLQCARIFVAYOT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H5-N5-O2

Molecular Weight

  • 215.171
 
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Names and Synonyms

Synonyms

  • 4-15-00-00368 (Beilstein Handbook Reference)
  • BRN 1842828
  • Mesoxalonitrile, (P-nitrophenyl)hydrazone
  • p-Nitrophenylhydrazonomalononitrile
  • Propanedinitrile, ((4-nitrophenyl)hydrazono)-

Systematic Name

  • Malononitrile, (p-nitrophenyl)hydrazone

Registry Numbers

CAS Registry Number

  • 3722-12-1

System Generated Number

  • 0003722121

Structure Descriptors

InChI

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

InChIKey

WPLQCARIFVAYOT-UHFFFAOYSA-N

Smiles

c1(ccc([N+](=O)[O-])cc1)N\N=C(/C#N)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10mg/kg (10mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01823,
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) 2.37 (none)   EXP
Water Solubility 141 mg/L 25 EST
Vapor Pressure 3.13E-07 mm Hg 25 EST
Henry's Law Constant 2.28E-11 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.