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Cas Database |
| Name |
4-Chlorobenzoylacetonitrile |
EINECS | N/A |
| CAS No. | 4640-66-8 | Density | 1.257g/cm3 |
| PSA | 40.86000 | LogP | 2.43638 |
| Solubility | N/A | 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 | N/A | Appearance | Light Yellow Needles |
| Safety | 743368 | Risk Codes | R36/37/38 |
| Molecular Structure |
|
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 |
Article Data | 48 |
4-Chlorobenzoylacetonitrile Chemical Properties
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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: 
Xi,
T
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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