3,4-Difluorobenzyl bromide

The 3,4-Difluorobenzyl bromide with CAS registry number of 85118-01-0 is also known as Benzene, 4-(bromomethyl)-1,2-difluoro-. The IUPAC name is 4-(Bromomethyl)-1,2-difluorobenzene. It belongs to product categories of Fluoro-contained Benzyl Bromide Series; Aromatic Halides (substituted); Miscellaneous; Fluorinated Benzene Series. Its EINECS registry number is 285-653-1. In addition, the formula is C₇H₅BrF₂ and the molecular weight is 207.01. This chemical is a clear yellow liquid that may destroy living tissue on contact.

Physical properties about 3,4-Difluorobenzyl bromide are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 99.69; (6)ACD/BCF (pH 7.4): 99.69; (7)ACD/KOC (pH 5.5): 938.11; (8)ACD/KOC (pH 7.4): 938.11; (9)#Freely Rotating Bonds: 1 (10)Index of Refraction: 1.522; (11)Molar Refractivity: 38.88 cm³; (12)Molar Volume: 127.3 cm³; (13)Surface Tension: 35.3 dyne/cm; (14)Density: 1.625 g/cm³; (15)Flash Point: 79.4 °C; (16)Enthalpy of Vaporization: 41.4 kJ/mol; (17)Boiling Point: 195.5 °C at 760 mmHg; (18)Vapour Pressure: 0.586 mmHg at 25 °C.

Uses of 3,4-Difluorobenzyl bromide: it is used to produce (3,4-difluoro-benzyl)-triphenyl-phosphonium; bromide by alkylation reaction with triphenylphosphane. The reaction occurs with solvent diethyl ether at the temperature of 20 °C. The yield is about 85 %.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and it causes burns. During using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe gas/fumes/vapour/spray. After using it, take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If accident happens or you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C=C1CBr)F)F
2. InChI: InChI=1S/C7H5BrF2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
3. InChIKey: JJIFTOPVKWDHJI-UHFFFAOYSA-N