1,3-Dibromotetrafluorobenzene

The IUPAC name of Benzene,1,3-dibromo-2,4,5,6-tetrafluoro- is 1,3-dibromo-2,4,5,6-tetrafluorobenzene. With the CAS registry number 1559-87-1, it is also named as 1,3-Dibromotetrafluorobenzene. The product's categories are Aryl; C6; Halogenated Hydrocarbons. Besides, it is clear colorless to light yellow liquid, which should be stored in tightly sealed container in a cool, dry place. And you should ensure that the workplaces have good ventilated or exhaust devices. In addition, its molecular formula is C₆Br₂F₄ and molecular weight is 307.87.

The other characteristics of this product can be summarized as: (1)EINECS: 216-326-3; (2)ACD/LogP: 3.42; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.42; (5)ACD/LogD (pH 7.4): 3.42; (6)ACD/BCF (pH 5.5): 235.55; (7)ACD/BCF (pH 7.4): 235.55; (8)ACD/KOC (pH 5.5): 1735.95; (9)ACD/KOC (pH 7.4): 1735.95; (10)#H bond acceptors: 0; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 0; (13)Polar Surface Area: 0 Å²; (14)Index of Refraction: 1.512; (15)Molar Refractivity: 41.6 cm³; (16)Molar Volume: 138.6 cm³; (17)Polarizability: 16.49×10^-24cm³; (18)Surface Tension: 34.8 dyne/cm; (19)Density: 2.22 g/cm³; (20)Flash Point: 65.5 °C; (21)Enthalpy of Vaporization: 40.37 kJ/mol; (22)Boiling Point: 184.7 °C at 760 mmHg; (23)Vapour Pressure: 0.992 mmHg at 25 °C.

Uses of Benzene,1,3-dibromo-2,4,5,6-tetrafluoro-: it can react with 1H-Imidazole to get 1-(2',4'-Dibromotrifluorophenyl)imidazole.



This reaction needs Tetrahydrofuran and Dimethylsulfoxide at temperature of 80 °C for 20 hours. The yield is 69.9 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1c(F)c(F)c(F)c(Br)c1F
(2)InChI: InChI=1/C6Br2F4/c7-1-3(9)2(8)5(11)6(12)4(1)10
(3)InChIKey: UCWKDDQEZQRGDR-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6Br2F4/c7-1-3(9)2(8)5(11)6(12)4(1)10
(5)Std. InChIKey: UCWKDDQEZQRGDR-UHFFFAOYSA-N