1-Propanone,2-chloro-1-(4-fluorophenyl)- (81112-09-6)

The cas register number of 3-Chloro-1-(4-fluorophenyl)propan-1-one is 81112-09-6. It also can be called as alpha-Chloro-4'-fluoropropiophenone and the Systematic name about this chemical is (2R)-2-chloro-1-(4-fluorophenyl)propan-1-one.

Physical properties about 3-Chloro-1-(4-fluorophenyl)propan-1-one are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.19; (6)ACD/BCF (pH 7.4): 30.19; (7)ACD/KOC (pH 5.5): 398.9; (8)ACD/KOC (pH 7.4): 398.9; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07Ų; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 45.71 cm³; (15)Molar Volume: 153.4 cm³; (16)Surface Tension: 35.7 dyne/cm; (17)Density: 1.216 g/cm³; (18)Flash Point: 108.3 °C; (19)Enthalpy of Vaporization: 49.3 kJ/mol; (20)Boiling Point: 255.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0163 mmHg at 25°C.

Preparation of 2-chloro-1-(4-fluoro-phenyl)-propan-1-one: this chemical can be prepared by 2-chloro-propionyl chloride and fluorobenzene. This reaction needs reagent AlCl₃ . The reaction time is 3 hours. The yield is 92 %.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(c1ccc(F)cc1)C(Cl)C
2.InChI: InChI=1/C9H8ClFO/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3 
3.InChIKey: AGQLOTJUTCKLOE-UHFFFAOYAK
4.Std. InChI: InChI=1S/C9H8ClFO/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3