Benzenemethanol,3-chloro-a-methyl- (6939-95-3)

The 1-(3-Chlorophenyl)-1-ethanol, with the CAS registry number 6939-95-3, is also known as 3-Chloro-alpha-methylbenzyl alcohol and Phenethyl alcohol, m-chloro-. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Chlorine Compounds; Phenols. Its EINECS number is 230-079-9. This chemical's molecular formula is C₈H₉ClO and formula weight is 156.61. What's more, both its IUPAC name and systematic name are the same which is called 1-(3-Chlorophenyl)ethanol.

Physical properties about this chemical are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.99; (6)ACD/BCF (pH 7.4): 17.99; (7)ACD/KOC (pH 5.5): 275.44; (8)ACD/KOC (pH 7.4): 275.44; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 42.23 cm³; (15)Molar Volume: 131.7 cm³; (16)Surface Tension: 42.5 dyne/cm; (17)Density: 1.189 g/cm³; (18)Flash Point: 101.1 °C; (19)Enthalpy of Vaporization: 52.27 kJ/mol; (20)Boiling Point: 257.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00756 mmHg at 25°C.

Uses of 1-(3-Chlorophenyl)-1-ethanol: it can be used to produce 1-(3-Chloro-phenyl)-ethanone at temperature of 60 °C. This reaction will need reagent sodium bromide, cobalt(III) acetate and solvent acetic acid with reaction time of 2 hours. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C1=CC(=CC=C1)Cl)O
(2)InChI: InChI=1S/C8H9ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3
(3)InChIKey: QYUQVBHGBPRDKN-UHFFFAOYSA-N