Product Name

  • Name

    4-CHLOROBENZOYLACETONITRILE

  • EINECS
  • CAS No. 4640-66-8
  • Article Data48
  • CAS DataBase
  • Density 1.257g/cm3
  • Solubility
  • Melting Point 129-133oC
  • Formula C9H6 Cl N O
  • Boiling Point 349.3°C at 760 mmHg
  • Molecular Weight 179.606
  • Flash Point 165.1°C
  • Transport Information
  • Appearance Light Yellow Needles
  • Safety 743368
  • Risk Codes R36/37/38   
  • Molecular Structure Molecular Structure of 4640-66-8 (4-CHLOROBENZOYLACETONITRILE)
  • Hazard Symbols
  • Synonyms Acetonitrile,(p-chlorobenzoyl)- (6CI,7CI,8CI); (4-Chlorobenzoyl)acetonitrile;(p-Chlorobenzoyl)acetonitrile; 3-(4-Chlorophenyl)-3-oxopropanenitrile;3-(4-Chlorophenyl)-3-oxopropionitrile; 3-Oxo-3-(4-chlorophenyl)propionitrile;4-Chloro-b-oxobenzenepropanenitrile;4-Chlorophenacyl cyanide; 4'-Chloro-2-cyanoacetophenone;p-Chloro-2-cyanoacetophenone; p-Chlorophenacyl cyanide
  • PSA 40.86000
  • LogP 2.43638

4-Chlorobenzoylacetonitrile Chemical Properties


IUPAC Name: 3-(4-Chlorophenyl)-3-oxopropanenitrile 
Empirical Formula: C9H6ClNO
Molecular Weight: 179.603
Canonical SMILES: C1=CC(=CC=C1C(=O)CC#N)Cl
InChI: InChI=1S/C9H6ClNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2
InChIKey: JYOUFPNYTOFCSJ-UHFFFAOYSA-N
XLogP3: 1.6
H-Bond Donor: 0
H-Bond Acceptor: 2 
Melting Point:  129-133 °C(lit.)
refractive index: 1.422-1.424 
Index of Refraction: 1.553
Molar Refractivity: 45.72 cm3
Molar Volume: 142.8 cm3
Surface Tension: 48.2 dyne/cm
Density: 1.257 g/cm3
Flash Point: 165.1 °C
Enthalpy of Vaporization: 59.38 kJ/mol
Boiling Point: 349.3 °C at 760 mmHg
Vapour Pressure: 4.75E-05 mmHg at 25 °C
Product Categories of 4-Chlorobenzoylacetonitrile (CAS NO.4640-66-8): Aromatics Compounds; Aromatics; C8 to C9; Cyanides/Nitriles; Nitrogen Compounds

4-Chlorobenzoylacetonitrile Safety Profile

Hazard Codes: IrritantXi,ToxicT
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
RIDADR: 3276
WGK Germany: 3
HazardClass: IRRITANT, IRRITANT-HARMFUL
PackingGroup of 4-Chlorobenzoylacetonitrile (CAS NO.4640-66-8): III

4-Chlorobenzoylacetonitrile Specification

  4-Chlorobenzoylacetonitrile (CAS NO.4640-66-8), its Synonyms are 3-(4'-Chlorophenyl)-3-oxopropanenitrile ; 3-(4-Chlorophenyl)-3-oxopropanenitrile ; 3-(4-Chloro-phenyl)-3-oxo-propionitrile ; 4-Chlorobenzoylacetonitrile 98.5% ; Tosylate ; 3-Oxo-3-(4-chlorophenyl)propanenitrile . It is light yellow needles.

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