4,4'-Bis(hydroxymethyl)biphenyl

The 4,4'-Bis(hydroxymethyl)biphenyl, with the CAS registry number 1667-12-5, is also known as Biphenyl-4,4'-diyldimethanol. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Pharmacetical; Biphenyls (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research. Its EINECS number is 244-070-2. This chemical's molecular formula is C₁₄H₁₄O₂ and molecular weight is 214.26. What's more, its systematic name is 4,4'-Biphenyldiyldimethanol. 

Physical properties of 4,4'-Bis(hydroxymethyl)biphenyl are: (1)ACD/LogP: 1.608; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 9.82; (6)ACD/BCF (pH 7.4): 9.82; (7)ACD/KOC (pH 5.5): 178.61; (8)ACD/KOC (pH 7.4): 178.61; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 63.747 cm³; (15)Molar Volume: 182.351 cm³; (16)Polarizability: 25.271×10^-24cm³; (17)Surface Tension: 51.17 dyne/cm; (18)Density: 1.175 g/cm³; (19)Flash Point: 204.517 °C; (20)Enthalpy of Vaporization: 70.594 kJ/mol; (21)Boiling Point: 416.341 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by (4-tributylstannanyl-phenyl)-methanol at the temperature of 70 °C. This reaction will need reagents p-C₃H₅)>2, N-(2-diphenylphosphinobenzylidene)aniline and solvent dimethylformamide with the reaction time of 10 hours. The yield is about 75%.

Uses of 4,4'-Bis(hydroxymethyl)biphenyl: it can be used to produce 4,4'-bis-chloromethyl-biphenyl. It will need reagent HCl. The yield is about 57%.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc2ccc(c1ccc(cc1)CO)cc2
(2)Std. InChI: InChI=1S/C14H14O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8,15-16H,9-10H2
(3)Std. InChIKey: SFHGONLFTNHXDX-UHFFFAOYSA-N