4-Bromo-1,3-bis(trifluoromethyl)benzene

The Benzene,1-bromo-2,4-bis(trifluoromethyl)-, with CAS registry number 327-75-3, has the systematic name of 1-bromo-2,4-bis(trifluoromethyl)benzene. This chemical is a kind of clear colorless to slightly brown liquid. And the chemical formula of this chemical is C₈H₃BrF₆.

Physical properties of Benzene,1-bromo-2,4-bis(trifluoromethyl)-: (1)ACD/LogP: 4.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 4.05; (5)ACD/BCF (pH 5.5): 705.54; (6)ACD/BCF (pH 7.4): 705.54; (7)ACD/KOC (pH 5.5): 3806.91; (8)ACD/KOC (pH 7.4): 3806.91; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 43.9 cm³; (15)Molar Volume: 172.6 cm³; (16)Polarizability: 17.4×10^-24cm³; (17)Surface Tension: 21.6 dyne/cm; (18)Enthalpy of Vaporization: 37.94 kJ/mol; (19)Vapour Pressure: 3.31 mmHg at 25°C.

Uses of p-Chloropropiophenone: it can be used to produce 2,4-bis-trifluoromethyl-biphenyl. This reaction will need regents N,N'-dicyclohexyl-1,4-diazabutadiene, Pd(OAc)₂, Cs₂CO₃ and solvent dioxane. The reaction time is 21hour(s) with reaction temperature
of 80 ℃. The yield is about 98%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-2,4-bis(trifluoromethyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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)(F)c1cc(ccc1Br)C(F)(F)F
(2)InChI: InChI=1/C8H3BrF6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13,14)15/h1-3H
(3)InChIKey: QDEJWLIKRLJYEK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H3BrF6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13,14)15/h1-3H
(5)Std. InChIKey: QDEJWLIKRLJYEK-UHFFFAOYSA-N