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Substance Name: Benzoylacetonitrile
RN: 614-16-4
UNII: AFI9JB57H3
InChIKey: ZJRCIQAMTAINCB-UHFFFAOYSA-N

Molecular Formula

  • C9-H7-N-O

Molecular Weight

  • 145.16
 
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Names and Synonyms

Name of Substance

  • Benzoylacetonitrile

Synonyms

  • 2-Cyanoacetophenone
  • 2-Cyanoacetyl phenone
  • 3-Phenyl-3-ketopropionitrile
  • Acetophenone, 2-cyano-
  • AI3-04364
  • Benzoylacetonitrile
  • Cyanoacetophenone
  • Cyanomethyl phenyl ketone
  • EINECS 210-369-1
  • Hydrocinnamonitrile, beta-oxo-
  • NSC 4713
  • Phenacyl cyanide
  • UNII-AFI9JB57H3

Systematic Names

  • Acetonitrile, benzoyl- (8CI)
  • Benzenepropanenitrile, beta-oxo-
  • Benzoylacetonitrile

Registry Numbers

CAS Registry Number

  • 614-16-4

FDA UNII

  • AFI9JB57H3

Other Registry Number

  • 151887-87-5

System Generated Number

  • 0000614164

Structure Descriptors

InChI

1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2

InChIKey

ZJRCIQAMTAINCB-UHFFFAOYSA-N

Smiles

c1cc(C(CC#N)=O)ccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 80.5 deg C   EXP
log P (octanol-water) 0.830 (none)   EST
Atmospheric OH Rate Constant 1.91E-12 cm3/molecule-sec 25 EST

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