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| CAS No.: | 1503-49-7 |
|---|---|
| Name: | 4-CYANOBENZOPHENONE |
| Article Data: | 192 |
| Molecular Structure: | |
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| Formula: | C14H9NO |
| Molecular Weight: | 207.232 |
| Synonyms: | Benzonitrile,p-benzoyl- (6CI,7CI,8CI);(4-Cyanophenyl)phenylmethanone;4-Benzoylbenzonitrile;4-Cyanobenzophenone;4-Cyanophenyl phenyl ketone;p-Benzoylbenzonitrile;p-Cyanobenzophenone;p-Cyanophenyl phenyl ketone; |
| EINECS: | 216-126-6 |
| Density: | 1.19 g/cm3 |
| Melting Point: | 110-114 °C(lit.) |
| Boiling Point: | 377 °C at 760 mmHg |
| Flash Point: | 181.8 °C |
| Solubility: | Insoluble in water. |
| Appearance: | slightly yellow crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 40.86000 |
| LogP: | 2.78928 |
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Specification
The Benzonitrile,4-benzoyl- is an organic compound with the formula C14H9NO. The IUPAC name of this chemical is 4-Benzoylbenzonitrile. With the CAS registry number 1503-49-7, it is also named as Benzophenone, 4-cyano-. The product's categories are Aromatic Benzophenones and Derivatives (substituted). Besides, it is slightly yellow crystalline powder, which should be stored in a cool, sealed, dry, well-ventilated, lightproof place.
Physical properties about Benzonitrile,4-benzoyl- are: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 2.83; (3)ACD/LogD (pH 7.4): 2.83; (4)ACD/BCF (pH 5.5): 83.87; (5)ACD/BCF (pH 7.4): 83.87; (6)ACD/KOC (pH 5.5): 828.93; (7)ACD/KOC (pH 7.4): 828.93; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 40.86 Å2; (11)Index of Refraction: 1.616; (12)Molar Refractivity: 60.77 cm3; (13)Molar Volume: 173.7 cm3; (14)Polarizability: 24.09×10-24 cm3; (15)Surface Tension: 53.6 dyne/cm; (16)Density: 1.19 g/cm3; (17)Flash Point: 181.8 °C; (18)Enthalpy of Vaporization: 62.47 kJ/mol; (19)Boiling Point: 377 °C at 760 mmHg; (20)Vapour Pressure: 6.95E-06 mmHg at 25 °C.
Preparation: this chemical can be prepared by Benzene. This reaction will need reagent aluminum chloride. The reaction time is 24 hours. The yield is about 50%.
Uses of Benzonitrile,4-benzoyl-: it can be used to produce 4-Cyanobenzophenone ethylene acetal. It will need reagent p-Toluenesulphonic acid and solvent benzene. The yield is about 76%.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H
(2)InChIKey: YSZWJJANSNFQMM-UHFFFAOYAB
(3)Std. InChI: InChI=1S/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H
(4)Std. InChIKey: YSZWJJANSNFQMM-UHFFFAOYSA-N