3-Bromo-4-fluorotoluene

The IUPAC name of 3-Bromo-4-fluorotoluene is 2-bromo-1-fluoro-4-methylbenzene. With the CAS registry number 452-62-0, it is also named as Benzene, 2-bromo-1-fluoro-4-methyl-. The product's categories are Fluorin-contained Toluene Series; Fluorobenzene; Aromatic Halides (substituted); Halogen Toluene; Miscellaneous; Bromine Compounds; Fluorine Compounds; Aryl; C7; Halogenated Hydrocarbons. It is colorless to light yellow liquid which should be sealed in the container and stored in the ventilate, cool and dry place.

The other characteristics of 3-Bromo-4-fluorotoluene can be summarized as: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 231.87; (6)ACD/BCF (pH 7.4): 231.87; (7)ACD/KOC (pH 5.5): 1716.51; (8)ACD/KOC (pH 7.4): 1716.51; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 38.76 cm³; (14)Molar Volume: 126.1 cm³; (15)Polarizability: 15.36×10^-24 cm³; (16)Surface Tension: 33.1 dyne/cm; (17)Enthalpy of Vaporization: 38.9 kJ/mol; (18)Vapour Pressure: 2.07 mmHg at 25°C; (19)Exact Mass: 187.963691; (20)MonoIsotopic Mass: 187.963691; (21)Heavy Atom Count: 9; (22)Complexity: 94.9.

Uses of 3-Bromo-4-fluorotoluene: It is used as intermediate of pharmaceuticals, pesticides and liquid crystal materials. It also can react with 1,1-dimethyl-2,3,4,5-tetraphenyl-1H-silole to get 4,11,11-trimethyl-1,8,9,10-tetraphenyl-11-sila-tricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene. This reaction needs solvent tetrahydrofuran at temperature of 25 °C. The reaction time is 6 hours. The yield is 83%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:Fc1ccc(cc1Br)C
2. InChI:InChI=1/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
3. InChIKey:QLRKALMVPCQTMU-UHFFFAOYAN