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Cas Database |
| Name |
2-Chlorobenzoylacetonitrile |
EINECS | 609-772-9 |
| CAS No. | 40018-25-5 | Density | 1.258 g/cm3 |
| PSA | 40.86000 | LogP | 2.43638 |
| Solubility | N/A | Melting Point |
55-59 °C |
| Formula | C9H6ClNO | Boiling Point | 302.242 °C at 760 mmHg |
| Molecular Weight | 179.606 | Flash Point | 136.592 °C |
| Transport Information | N/A | Appearance | Yellowish solid |
| Safety | 36/37/39-26-22 | Risk Codes | 36/37/38-20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, T, Xi
|
| Synonyms |
Acetonitrile,(o-chlorobenzoyl)- (7CI);(2-Chlorophenyl)cyanomethyl ketone;3-(2-Chlorophenyl)-3-oxo-propanenitrile;3-Oxo-3-(2-chlorophenyl)propanenitrile;o-Chlorobenzoylacetonitrile;o-Chlorophenacyl cyanide; |
Article Data | 28 |
2-Chlorobenzoylacetonitrile Chemical Properties
Molecular Structure of 2-Chlorobenzoylacetonitrile (CAS No.40018-25-5):
Molecular Formula: C9H6ClNO
Molecular Weight: 179.6030
IUPAC Name: 3-(2-Chlorophenyl)-3-oxopropanenitrile
CAS No: 40018-25-5
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 2
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: 136.6 °C
Enthalpy of Vaporization: 54.24 kJ/mol
Boiling Point: 302.2 °C at 760 mmHg
Vapour Pressure: 0.001 mmHg at 25°C
Canonical SMILES: C1=CC=C(C(=C1)C(=O)CC#N)Cl
InChI: InChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4H,5H2
InChIKey: SBSWHTFHLWSSQS-UHFFFAOYSA-N
Product Categories: Aromatics Compounds;Aromatics
Appearence: Yellowish Solid
2-Chlorobenzoylacetonitrile Safety Profile
Hazard Codes: 
Xn,
T,
Xi
Risk Statements: 36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37/39-26-22
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S22:Do not breathe dust.
RIDADR: 3276
PackingGroup: III
2-Chlorobenzoylacetonitrile Specification
2-Chlorobenzoylacetonitrile (CAS No.40018-25-5), it also can be called 3-(2-Chlorophenyl)-3-oxopropanenitrile ; Benzenepropanenitrile, 2-chloro-beta-oxo- .
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