2-Fluoro-3-hydroxymethyl-benzoic acid

The 2-Fluoro-3-hydroxymethyl-benzoic acid has CAS registry number 481075-37-0. It belongs to the product category of Pharmaceutical. This chemical's molecular formula is C₈H₇FO₃ and molecular weight is 170.14. What's more, its systematic name is 2-Fluoro-3-(hydroxymethyl)benzoic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-Fluoro-3-hydroxymethyl-benzoic acid are: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.54; (4)ACD/LogD (pH 7.4): -2.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Ų; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 39.62 cm³; (15)Molar Volume: 119.9 cm³; (16)Polarizability: 15.7×10^-24 cm³; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.417 g/cm³; (19)Flash Point: 163.4 °C; (20)Enthalpy of Vaporization: 62.34 kJ/mol; (21)Boiling Point: 346.6 °C at 760 mmHg; (22)Vapour Pressure: 2.16E-05 mmHg at 25 °C.

Preparation of 2-Fluoro-3-hydroxymethyl-benzoic acid: this chemical is prepared by reaction of 1-Fluoro-2-methoxymethoxymethyl-benzene with Carbon dioxide. This reaction needs reagents sec-Butyllithium and N, N, N', N", N"-Pentamethyldiethylenetriamine. Meanwhile, it needs solvents Tetrahydrofuran; Cyclohexane; Tetrahydrofuran; Cyclohexane. The reaction time is 2 hours with reaction temperature of -75 °C. The yield is about 36 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(cccc1CO)C(=O)O
(2) InChI: InChI=1/C8H7FO3/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-3,10H,4H2,(H,11,12)
(3) InChIKey: VZUWHOMAXWKXOF-UHFFFAOYAZ