1-Bromo-3,4-difluorobenzene

The 1-Bromo-3,4-difluorobenzene with cas registry number of 348-61-8 is a kind of clear colorless to pale yellow liquid. Both its systematic name and IUPAC name are the same which is called 4-bromo-1,2-difluorobenzene. It has the EINECS registry number of 206-481-5. This chemical belongs to the following categories: Fluorobenzene; Aromatic Hydrocarbons (substituted) & Derivatives; Heterocyclic Compounds; Miscellaneous; Bromine Compounds; Fluorine Compounds; Aryl; C6; Halogenated Hydrocarbons.

The physical properties about this chemical 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): 98.95; (6)ACD/BCF (pH 7.4): 98.95; (7)ACD/KOC (pH 5.5): 933.08; (8)ACD/KOC (pH 7.4): 933.08; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.506; (13)Molar Refractivity: 33.93 cm³; (14)Molar Volume: 114 cm³; (15)Surface Tension: 32.3 dyne/cm; (16)Density: 1.692 g/cm³; (17)Flash Point: 33.3 °C ; (18) Enthalpy of Vaporization: 37.14 kJ/mol; (19)Boiling Point: 150.5 °C at 760 mmHg; (20)Vapour Pressure: 4.88 mmHg at 25°C; (21)Refractive index: 1.504-1.506; (22)Water solubility: insoluble.

Uses of 1-Bromo-3,4-difluorobenzene: it can be used as intermediates of liquid crystals. Besides, it can react with propan-2-one to give 2-(3,4-difluorophenyl)propan-2-ol with reagent BuLi, solvent diethyl ether at the temperature: 1.) -78 Deg C, 2.) -78 Deg C to room temperature. You can get 51% yield.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Therefore, wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is also flammable. Keep away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(Br)ccc1F;
(2)InChI: InChI=1/C6H3BrF2/c7-4-1-2-5(8)6(9)3-4/h1-3H;
(3)InChIKey: YMQPKONILWWJQG-UHFFFAOYAJ