3-PHENYLPHENOL

The Biphenyl-3-ol, with the CAS registry number of 580-51-8, is also known as 3-Hydroxybiphenyl. This chemical's molecular formula is C₁₂H₁₀O and molecular weight is 170.21. What's more, its IUPAC name is 3-Phenylphenol.

Physical properties about Biphenyl-3-ol are: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.23; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 167.79; (6)ACD/BCF (pH 7.4): 167.04; (7)ACD/KOC (pH 5.5): 1361.74; (8)ACD/KOC (pH 7.4): 1355.62; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 52.72 cm³; (15)Molar Volume: 153.1 cm³; (16)Surface Tension: 44.5 dyne/cm; (17)Density: 1.111 g/cm³; (18)Flash Point: 162.1 °C; (19)Enthalpy of Vaporization: 59.97 kJ/mol; (20)Boiling Point: 333.9 °C at 760 mmHg; (21)Vapour Pressure: 6.84E-05 mmHg at 25 °C.

Preparation: this chemical is prepared by Dibenzothiophen-2-ol at ambient temperature. The reaction needs reagent Nickel chloride hexahydrate, sodium borohydride. Meanwhile, it needs solvents Methanol and Tetrahydrofuran. The reaction time is 60 minutes. The yield is about 70 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 3-Methoxymethoxy-biphenyl by heating. This reaction needs reagent p-Toluenesulfonic acid, 4A Sieves. Meanwhile, it needs solvent CH₂Cl₂. The reaction time is 48 hours. The yield is about 75 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc2cc(c1ccccc1)ccc2
(2) InChI: InChI=1/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H
(3) InChIKey: UBXYXCRCOKCZIT-UHFFFAOYAX