4-(Difluoromethoxy)benzyl bromide

The Benzene, 1-(bromomethyl)-4-(difluoromethoxy)-, with the CAS registry number of 3447-53-8, is also known as 4-(Difluoromethoxy)benzyl bromide and p-Difluoromethoxybenzylbromide. This chemical's molecular formula is C₈H₇BrF₂O and molecular weight is 237.04. What's more, its IUPAC name is 1-(Bromomethyl)-4-(difluoromethoxy)benzene. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should avoid contact with light.

Physical properties about Benzene, 1-(bromomethyl)-4-(difluoromethoxy)- are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 114.99; (6)ACD/BCF (pH 7.4): 114.99; (7)ACD/KOC (pH 5.5): 1039.06; (8)ACD/KOC (pH 7.4): 1039.06; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 45.86 cm³; (15)Molar Volume: 154.2 cm³; (16)Surface Tension: 32.8 dyne/cm; (17)Density: 1.537 g/cm³; (18)Flash Point: 117.3 °C; (19)Enthalpy of Vaporization: 45.54 kJ/mol; (20)Boiling Point: 237.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0674 mmHg at 25 °C.

Preparation: this chemical is prepared by α, α-Difluoro-p-methylanisole. The reaction needs reagent Br₂ and solvent CCl₄. The reaction time is 30 minutes. Other conditions of this reaction are 1.)heating; 2.)irradiation. The yield is about 72 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-(4-Difluoromethoxy-benzyl)-2-formylamino-malonic acid diethyl ester at heating. This reaction needs reagent NaOC₂H₅. The reaction time is 3.5 hours.

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. 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: FC(F)Oc1ccc(cc1)CBr
(2) InChI: InChI=1/C8H7BrF2O/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4,8H,5H2
(3) InChIKey: IFNMJBFIRKAQBT-UHFFFAOYAZ