3-CHLOROBENZHYDROL

The Benzenemethanol, 3-chloro-a-phenyl-, with the CAS registry number 63012-03-3, is also known as 3-Chlorobenzhydrol. This chemical's molecular formula is C₁₃H₁₁ClO and molecular weight is 218.68. What's more, both its IUPAC name and systematic name are the same which is called (3-Chlorophenyl)-phenylmethanol.

Physical properties about Benzenemethanol, 3-chloro-a-phenyl- are: (1)ACD/LogP: 3.336; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 3.34; (5)ACD/BCF (pH 5.5): 202.09; (6)ACD/BCF (pH 7.4): 202.09; (7)ACD/KOC (pH 5.5): 1555.68; (8)ACD/KOC (pH 7.4): 1555.68; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 62 cm³; (15)Molar Volume: 179.04 cm³; (16)Polarizability: 24.579×10^-24cm³; (17)Surface Tension: 47.32 dyne/cm; (18)Density: 1.221 g/cm³; (19)Flash Point: 160.981 °C; (20)Enthalpy of Vaporization: 61.882 kJ/mol; (21)Boiling Point: 342.57 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Benzenemethanol, 3-chloro-a-phenyl-: this chemical can be prepared by benzaldehyde with (3-chloro-phenyl)-trimethyl-silane. This reaction needs reagent potassium-tert-butylate and solvent hexamethylphosphoric acid triamide at temperature of 100 °C. The reaction time is 4 hours. The yield is 78 %.

Uses of Benzenemethanol, 3-chloro-a-phenyl-: it is used to produce other chemicals. For example, it can produce 3-chloro-benzophenone. The reaction occurs with reagent CsSO₄F and solvent acetonitrile at ambient temperature. The yield is 88 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(ccc1)C(O)c2ccccc2
(2) InChI: InChI=1S/C13H11ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,13,15H
(3) InChIKey: DDCJHFYXAPQYLA-UHFFFAOYSA-N