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Substance Name: 4'-Cyanoacetophenone
RN: 1443-80-7
InChIKey: NLPHXWGWBKZSJC-UHFFFAOYSA-N

Molecular Formula

  • C9-H7-N-O

Molecular Weight

  • 145.16
 
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Names and Synonyms

Synonyms

  • 4-Acetylbenzonitrile
  • EINECS 215-885-0

Systematic Names

  • 4'-Cyanoacetophenone
  • Benzonitrile, 4-acetyl-

Registry Numbers

CAS Registry Number

  • 1443-80-7

System Generated Number

  • 0001443807

Structure Descriptors

InChI

1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3

InChIKey

NLPHXWGWBKZSJC-UHFFFAOYSA-N

Smiles

CC(=O)c1ccc(C#N)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 57-58 deg C   EXP
log P (octanol-water) 1.22 (none)   EXP
Water Solubility 3930 mg/L 25 EST
Vapor Pressure 6.42E-03 mm Hg 25 EST
Henry's Law Constant 9.48E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.35E-13 cm3/molecule-sec 25 EST

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