4,4'-Difluorobenzhydrylpiperazine

The 4,4'-Difluorobenzhydrylpiperazine, with the CAS registry number 27469-60-9, is also known as 1-(4,4'-Difluorobenzhydryl)piperazine. It belongs to the product category of API Intermediates. Its EINECS registry number is 248-476-0. This chemical's molecular formula is C₁₇H₁₈F₂N₂ and molecular weight is 288.335026. Its IUPAC name is called 1-[bis(4-fluorophenyl)methyl]piperazine. What's more, the product should be sealed and stored in cool and dry place. This chemical can be used as medicine intermediates of flunarizine.

Physical properties of 4,4'-Difluorobenzhydrylpiperazine: (1)ACD/LogP: 2.95; (2)ACD/LogD (pH 7.4): 1.36; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 2.65; (5)ACD/KOC (pH 5.5): 1.07; (6)ACD/KOC (pH 7.4): 24.67; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.559; (11)Molar Refractivity: 78.91 cm³; (12)Molar Volume: 244.1 cm³; (13)Surface Tension: 40.4 dyne/cm; (14)Density: 1.181 g/cm³; (15)Flash Point: 176.3 °C; (16)Enthalpy of Vaporization: 61.45 kJ/mol; (17)Boiling Point: 367.9 °C at 760 mmHg; (18)Vapour Pressure: 1.32E-05 mmHg at 25°C.

Uses of 4,4'-Difluorobenzhydrylpiperazine: it can be used to produce 3-{4-[bis-(4-fluoro-phenyl)-methyl]-piperazin-1-yl}-propane-1,2-diol with oxiranyl-methanol. This reaction will need solvent methanol. The yield is about 73%.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCN1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
(2)InChI: InChI=1S/C17H18F2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2
(3)InChIKey: TTXIFFYPVGWLSE-UHFFFAOYSA-N