1,4-BIS(DIFLUOROMETHYL)BENZENE

The Benzene,1,4-bis(difluoromethyl)-, with the CAS registry number 3699-66-9 and EINECS registry number 369-54-0, has the systematic name and IUPAC name of 1,4-bis(difluoromethyl)benzene. It is a kind of clear colorless liquid, and the molecular formula of the chemical is C₈H₆F₄.

The characteristics of Benzene,1,4-bis(difluoromethyl)- are as followings: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 105.48; (6)ACD/BCF (pH 7.4): 105.48; (7)ACD/KOC (pH 5.5): 976.75; (8)ACD/KOC (pH 7.4): 976.75; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 36.74 cm³; (15)Molar Volume: 145.3 cm³; (16)Polarizability: 14.56×10^-24cm³; (17)Surface Tension: 22.4 dyne/cm; (18)Density: 1.225 g/cm³; (19)Flash Point: 66.8 °C; (20)Enthalpy of Vaporization: 38.87 kJ/mol; (21)Boiling Point: 168.9 °C at 760 mmHg; (22)Vapour Pressure: 2.1 mmHg at 25°C.

Preparation of Benzene,1,4-bis(difluoromethyl)-: This chemical can be prepared by benzene-1,4-dicarbaldehyde. The reaction will need reagent bis(2-methoxyethyl)aminosulfur trifluoride, and the menstruum CH₂Cl₂. The reaction time is 16 hours with heating, and the yield is about 94%. 

Uses of Benzene,1,4-bis(difluoromethyl)-: It can react with furfural to produce α,α'-Dibrom-α,α,α',α'-tetrafluor-p-xylol. This reaction will need reagent N-bromosuccinimide, and the menstruum CCl₄. And the yield is about 55%. 

You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)c1ccc(cc1)C(F)F
(2)InChI: InChI=1/C8H6F4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,7-8H
(3)InChIKey: VWKMZVCSRVFUGW-UHFFFAOYAJ