3-Bromo-5-fluorobenzotrifluoride

The 3-Bromo-5-fluorobenzotrifluoride, with the CAS registry number 130723-13-6, is also known as 3-Fluoro-5-(trifluoromethyl)bromobenzene. It belongs to the product categories of Aromatic Halides (substituted); Benzotrifluoride Series; Aryl; C7; Halogenated Hydrocarbons; Trifluoromethyl-benzene series. This chemical's molecular formula is C₇H₃BrF₄ and molecular weight is 243.00. What's more, its systematic name is 1-Bromo-3-fluoro-5-(trifluoromethyl)benzene. This chemical should be sealed and stored in a cool and dry place. It should be ensured that the workshop is well ventilated or equipped with exhaust devices. Moreover, it should be protected from oxides.

Physical properties of 3-Bromo-5-fluorobenzotrifluoride are: (1)ACD/LogP: 3.363; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 211.75; (6)ACD/BCF (pH 7.4): 211.75; (7)ACD/KOC (pH 5.5): 1608.53; (8)ACD/KOC (pH 7.4): 1608.53; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.455; (13)Molar Refractivity: 38.917 cm³; (14)Molar Volume: 143.338 cm³; (15)Polarizability: 15.428×10^-24cm³; (16)Surface Tension: 25.5 dyne/cm; (17)Density: 1.695 g/cm³; (18)Flash Point: 57.718 °C; (19)Enthalpy of Vaporization: 37.196 kJ/mol; (20)Boiling Point: 151.087 °C at 760 mmHg; (21)Vapour Pressure: 4.8 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contact with skin and eyes and you should wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(Br)c1)C(F)(F)F
(2)Std. InChI: InChI=1S/C7H3BrF4/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
(3)Std. InChIKey: LIGBGEJPUQBLTG-UHFFFAOYSA-N