2,6-Difluoro-4-methoxybenzyl bromide (94278-68-9)

The 2,6-Difluoro-4-methoxybenzyl bromide, with the CAS registry number 94278-68-9, has the systematic name of 2-(bromomethyl)-1,3-difluoro-5-methoxybenzene. And it is also called 4-(Bromomethyl)-3,5-difluorophenyl methyl ether. The molecular formula of the chemical is C₈H₇BrF₂O.

The characteristics of 2,6-Difluoro-4-methoxybenzyl bromide are as followings: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 128.02; (6)ACD/BCF (pH 7.4): 128.02; (7)ACD/KOC (pH 5.5): 1122.04; (8)ACD/KOC (pH 7.4): 1122.04; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 45.56 cm³; (15)Molar Volume: 151.3 cm³; (16)Polarizability: 18.06×10^-24cm³; (17)Surface Tension: 34.6 dyne/cm; (18)Density: 1.566 g/cm³; (19)Flash Point: 98.9 °C; (20)Enthalpy of Vaporization: 42.84 kJ/mol; (21)Boiling Point: 210.4 °C at 760 mmHg; (22)Vapour Pressure: 0.28 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(c(F)cc(OC)c1)CBr
(2)InChI: InChI=1/C8H7BrF2O/c1-12-5-2-7(10)6(4-9)8(11)3-5/h2-3H,4H2,1H3
(3)InChIKey: JCRQCVDDBZVTMB-UHFFFAOYAJ