4,4'-Difluorodiphenylmethylchloride

 The 4,4'-Difluorodiphenylmethylchloride, with the CAS registry number 27064-94-4, is also known as Bis(4-fluorophenyl)chloromethane. Its EINECS number is 248-201-4. This chemical's molecular formula is C₁₃H₉ClF₂ and molecular weight is 238.66. What's more, its systematic name is 1,1'-(Chloromethylene)bis(4-fluorobenzene). This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, water and moisture.

Physical properties of 4,4'-Difluorodiphenylmethylchloride are: (1)ACD/LogP: 4.06±0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.06; (4)ACD/LogD (pH 7.4): 4.06; (5)ACD/BCF (pH 5.5): 718.68; (6)ACD/BCF (pH 7.4): 718.68; (7)ACD/KOC (pH 5.5): 3857.52; (8)ACD/KOC (pH 7.4): 3857.52; (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: 1.551; (14)Molar Refractivity: 60.4±0.3 cm³; (15)Molar Volume: 189.4±3.0 cm³; (16)Polarizability: 23.9±0.5×10^-24cm³; (17)Surface Tension: 37.8±3.0 dyne/cm; (18)Density: 1.3±0.1 g/cm³; (19)Flash Point: 153.1±18.0 °C; (20)Enthalpy of Vaporization: 54.6±3.0 kJ/mol; (21)Boiling Point: 326.586 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.6 mmHg at 25°C.

Preparation: this chemical can be prepared by 4,4'-difluoro-benzhydrol by heating. It will need reagent SOCl₂ and solvent toluene with the reaction time of 2 hours. The yield is about 94%.

Uses of 4,4'-Difluorodiphenylmethylchloride: it can be used to produce N-mono-(4,4'-fluorobenzhydryl)piperazine by heating. It will need solvent ethanol with the reaction time of 24 hours. The yield is about 60.9%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It is irritating to eyes, respiratory system and skin. It is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)F)Cl)F
(2)Std. InChI: InChI=1S/C13H9ClF2/c14-13(9-1-5-11(15)6-2-9)10-3-7-12(16)8-4-10/h1-8,13H
(3)Std. InChIKey: FHPNLCLHMNPLEW-UHFFFAOYSA-N