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| CAS No.: | 329-78-2 |
|---|---|
| Name: | 1-(4-Chlorophenyl)-2-fluoroethanone |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C8H6ClFO |
| Molecular Weight: | 172.586 |
| Synonyms: | Acetophenone,4'-chloro-2-fluoro- (6CI,7CI,8CI);NSC 265872; |
| Density: | 1.247 g/cm3 |
| Melting Point: | 54 °C |
| Boiling Point: | 260.3 °C at 760 mmHg |
| Flash Point: | 111.2 °C |
| Appearance: | light yellow or yellow crystal |
| Risk Codes: | 34-36/37/38 |
| Safety: | 26-36/37/39 |
| Transport Information: | UN 1759 |
| PSA: | 17.07000 |
| LogP: | 2.49220 |
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Specification
The Ethanone,1-(4-chlorophenyl)-2-fluoro-, with CAS registry number 329-78-2, belongs to the following product category: Acetylhalide. Its systematic name and its IUPAC name are the same, which is 1-(4-chlorophenyl)-2-fluoroethanone. And the chemical formula of this chemical is C8H6ClFO.
Physical properties of Ethanone,1-(4-chlorophenyl)-2-fluoro-: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.509; (8)Molar Refractivity: 41.33 cm3; (9)Molar Volume: 138.3 cm3; (10)Polarizability: 16.38×10-24cm3; (11)Surface Tension: 35.5 dyne/cm; (12)Enthalpy of Vaporization: 49.79 kJ/mol; (13)Vapour Pressure: 0.0124 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(4-chlorophenyl)-2-fluoro- irritates to eyes, respiratory system and skin. And it may causes burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)CF
(2)InChI: InChI=1/C8H6ClFO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2
(3)InChIKey: PYJRFTYRPATKFJ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H6ClFO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2
(5)Std. InChIKey: PYJRFTYRPATKFJ-UHFFFAOYSA-N