3-Fluoropropiophenone

The 3-Fluoropropiophenone, with the CAS registry number 455-67-4, has the systematic name of 1-(3-fluorophenyl)propan-1-one. This chemical is commonly used as pharmaceutical intermediate.

The physical properties of this chemical are as follows: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 32.85; (6)ACD/BCF (pH 7.4): 32.85; (7)ACD/KOC (pH 5.5): 423.75; (8)ACD/KOC (pH 7.4): 423.75; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 ; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 40.9 cm³; (15)Molar Volume: 141.6 cm³; (16)Polarizability: 16.21×10^-24 cm³; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 1.074 g/cm³; (19)Flash Point: 79.8 °C; (20)Enthalpy of Vaporization: 44.61 kJ/mol; (21)Boiling Point: 209.8 °C at 760 mmHg; (22)Vapour Pressure: 0.199 mmHg at 25°C.

Use of this chemical: 3-Fluoropropiophenone could react with ethynylmagnesium bromide to produce 3-(3-fluorophenyl)pent-1-yne-3-ol. This reaction could happen in the presence of the solvent of tetrahydrofuran, and it needs the reaction time of 4 hours in the condition of heating with the yield of 79%.



When you are dealing with this chemical, you should be very cautious. For being irritating to eyes and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(c1cc(F)ccc1)CC
(2)InChI:InChI=1/C9H9FO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
(3)InChIKey:RPMOHVRRKYJFSB-UHFFFAOYAO