Cyclopropyl 4-fluorophenyl ketone

The IUPAC name of Cyclopropyl 4-fluorophenyl ketone is cyclopropyl-(4-fluorophenyl)methanone. With the CAS registry number 772-31-6, it is also named as 4-Fluorophenyl cyclopropyl ketone. The product's categories are Ketone; C10; Carbonyl Compounds; Ketones. Besides, it is clear yellow to brownish liquid, which should be stored in closed containers in a cool, dry place. When you are using this chemical, please avoid contact with skin and eyes. In addition, its molecular formula is C₁₀H₉FO and molecular weight is 164.17.

The other characteristics of this product can be summarized as: (1)EINECS: 212-247-3; (2)ACD/LogP: 2.09; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.09; (5)ACD/LogD (pH 7.4): 2.09; (6)ACD/BCF (pH 5.5): 22.69; (7)ACD/BCF (pH 7.4): 22.69; (8)ACD/KOC (pH 5.5): 325.23; (9)ACD/KOC (pH 7.4): 325.23; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 17.07 Å²; (14)Index of Refraction: 1.559; (15)Molar Refractivity: 43.47 cm³; (16)Molar Volume: 134.4 cm³; (17)Polarizability: 17.23×10^-24cm³; (18)Surface Tension: 44.3 dyne/cm; (19)Density: 1.22 g/cm³; (20)Flash Point: 100 °C; (21)Melting point: -15 °C; (22)Enthalpy of Vaporization: 48.02 kJ/mol; (23)Boiling Point: 243.2 °C at 760 mmHg; (24)Vapour Pressure: 0.0325 mmHg at 25 °C.

Preparation of Cyclopropyl 4-fluorophenyl ketone: this chemical can be prepared by 4-chloro-1-(4-fluoro-phenyl)-butan-1-one.



This reaction needs KOH and methanol at temperature of 25 °C. The yield is 56 %.

Uses of Cyclopropyl 4-fluorophenyl ketone: it can react with 1H-imidazole to get 4-chloro-1-(4-imidazol-1-yl-phenyl)-butan-1-one.



This reaction needs K₂CO₃ and dimethylsulfoxide at temperature of 100 °C for 12 hours. The yield is 62 %.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1CC1C(=O)C2=CC=C(C=C2)F
(2)InChI: InChI=1S/C10H9FO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2
(3)InChIKey: MHKHJIJXMVHRAJ-UHFFFAOYSA-N