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Substance Name: Propanedinitrile, 2-(1-phenylethylidene)-
RN: 5447-87-0
InChIKey: ZVOMMPYHGITOEF-UHFFFAOYSA-N

Molecular Formula

  • C11-H8-N2

Molecular Weight

  • 168.198
 
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Names and Synonyms

Synonyms

  • (1-Phenylethylidene)malononitrile
  • 1,1-Dicyano-2-phenylpropene
  • AI3-16815
  • alpha-Methylbenzalmalononitrile
  • alpha-Methylbenzylidenemalononitrile
  • NSC 17554

Systematic Names

  • Malononitrile, (alpha-methylbenzylidene)- (8CI)
  • Propanedinitrile, (1-phenylethylidene)-
  • Propanedinitrile, 2-(1-phenylethylidene)-

Registry Numbers

CAS Registry Number

  • 5447-87-0

System Generated Number

  • 0005447870

Structure Descriptors

InChI

1S/C11H8N2/c1-9(11(7-12)8-13)10-5-3-2-4-6-10/h2-6H,1H3

InChIKey

ZVOMMPYHGITOEF-UHFFFAOYSA-N

Smiles

N#C\C(C#N)=C(\c1ccccc1)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.1 (none)   EXP
Water Solubility 548 mg/L 25 EST
Vapor Pressure 1.09E-04 mm Hg 25 EST
Henry's Law Constant 2.15E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.79E-12 cm3/molecule-sec 25 EST

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