3-FLUORO-4-METHYLBENZYL BROMIDE

The Benzene, 4-(bromomethyl)-2-fluoro-1-methyl-, with the CAS registry number 145075-44-1, is also known as 3-Fluoro-4-methylbenzyl bromide. It belongs to the product category of Benzene Series. This chemical's molecular formula is C₈H₈BrF and molecular weight is 203.05. What's more, its IUPAC name is 4-(Bromomethyl)-2-fluoro-1-methylbenzene.

Physical properties about Benzene, 4-(bromomethyl)-2-fluoro-1-methyl- are: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 238.46; (6)ACD/BCF (pH 7.4): 238.46; (7)ACD/KOC (pH 5.5): 1751.31; (8)ACD/KOC (pH 7.4): 1751.31; (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: 1.539; (14)Molar Refractivity: 43.71 cm³; (15)Molar Volume: 139.4 cm³; (16)Polarizability: 17.33×10^-24 cm³; (17)Surface Tension: 35.7 dyne/cm; (18)Density: 1.456 g/cm³; (19)Flash Point: 83.2 °C; (20)Enthalpy of Vaporization: 42.76 kJ/mol; (21)Boiling Point: 209.5 °C at 760 mmHg; (22)Vapour Pressure: 0.292 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of 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: Fc1cc(ccc1C)CBr
(2) InChI: InChI=1/C8H8BrF/c1-6-2-3-7(5-9)4-8(6)10/h2-4H,5H2,1H3
(3) InChIKey: YOACSNDETIDTAY-UHFFFAOYAU