1-BENZOFURAN-2-YLMETHANOL

The 2-Benzofuranmethanol, with the CAS registry number 55038-01-2, has the systematic name of 1-benzofuran-2-ylmethanol. It is a kind of colorless to light yellow liquid, and belongs to the product categories of Furan & Benzofuran. And the molecular formula of the chemical is C₉H₈O₂.

The characteristics of 2-Benzofuranmethanol are as followings: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 7.94; (6)ACD/BCF (pH 7.4): 7.94; (7)ACD/KOC (pH 5.5): 153.3; (8)ACD/KOC (pH 7.4): 153.3; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.37 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 42.84 cm³; (15)Molar Volume: 120.1 cm³; (16)Polarizability: 16.98×10^-24cm³; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.233 g/cm³; (19)Flash Point: 119.1 °C; (20)Enthalpy of Vaporization: 54.04 kJ/mol; (21)Boiling Point: 273.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00282 mmHg at 25°C.

Preparation of 2-Benzofuranmethanol: This chemical can be prepared by prop-2-yn-1-ol and 2-iodo-phenol. The reaction will need reagent Et₃N, catalyst Pd(Ph₃P)₂Cl₂ and CuI, and the menstruum dimethylformamide. And the yield is about 16%. 

Uses of 2-Benzofuranmethanol: It can react with triphenylphosphonium bromide to produce [(1-Benzofuran-2-yl)methyl]triphenylphosphoniumbromid. This reaction will need reagent acetonitrile. The reaction time is 3.5 hours with heating, and the yield is about 85%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCc2oc1ccccc1c2
(2)InChI: InChI=1/C9H8O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,10H,6H2
(3)InChIKey: HSOMHPHYGAQRTF-UHFFFAOYAO