Benzyl fluoride

The Benzene, (fluoromethyl)-, with the CAS registry number of 350-50-5, is also known as Benzyl fluoride and α-Fluorotoluene. Its EINECS registry number is 206-503-3. This chemical's molecular formula is C₇H₇F and molecular weight is 110.13. What's more, its IUPAC name is Fluoromethylbenzene.

Physical properties about Benzene, (fluoromethyl)- are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 42.23; (6)ACD/BCF (pH 7.4): 42.23; (7)ACD/KOC (pH 5.5): 507.29; (8)ACD/KOC (pH 7.4): 507.29; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 31.33 cm³; (15)Molar Volume: 111.1 cm³; (16)Polarizability: 12.42×10^-24 cm³; (17)Surface Tension: 27 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 17.4 °C; (20)Enthalpy of Vaporization: 35.87 kJ/mol; (21)Boiling Point: 136.8 °C at 760 mmHg; (22)Vapour Pressure: 9.01 mmHg at 25 °C.

Preparation: this chemical is prepared by Bromomethyl-benzene at heating. The reaction needs reagents Tetrabutylammonium bromide and CsF. The reaction time is 45 minutes. The yield is about 92 %.

Uses: it is used to produce other chemicals. For example, it is used to produce α-Bromo-α-fluorotoluene. This reaction needs reagent N-Bromosuccinimide. Meanwhile, it needs solvents CCl₄ and Acetonitrile. The reaction time is 2 hours. Other conditions of this reaction are 1.)heating, 2.)irradiation. The yield is about 59 %.

You can still convert the following datas into molecular structure:
(1) SMILES: FCc1ccccc1
(2) InChI: InChI=1/C7H7F/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
(3) InChIKey: MBXXQYJBFRRFCK-UHFFFAOYAU