Benzenemethanol,2,3,5-trifluoro- (67640-33-9)

The 2,3,5-Trifluorobenzyl alcohol with the cas number 67640-33-9 is also called Benzenemethanol,2,3,5-trifluoro-. Both the systematic name and IUPAC name are (2,3,5-trifluorophenyl)methanol. Its molecular formula is C₇H₅F₃O. The product category is Miscellaneous.

The properties of the chemical are: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): 1.2; (5)ACD/BCF (pH 5.5): 4.85; (6)ACD/BCF (pH 7.4): 4.85; (7)ACD/KOC (pH 5.5): 107.77; (8)ACD/KOC (pH 7.4): 107.77; (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: 1.476; (14)Molar Refractivity: 32.68 cm³; (15)Molar Volume: 115.8 cm³; (16)Polarizability: 12.95×10^-24cm³; (17)Surface Tension: 35.1 dyne/cm; (18)Enthalpy of Vaporization: 44.41 kJ/mol; (19)Vapour Pressure: 0.49 mmHg at 25°C.

Preparation: This chemical can be prepared by 2,3,5-trifluoro-benzoic acid. This reaction needs reagent LiAlH₄ and solvent diethyl ether in ice bath. The reaction time is 1.0 hours. The yield is 78%.

Uses: This chemical can prepare 1-bromomethyl-2,3,5-trifluoro-benzene. This reaction needs reagent NBS, Ph₃P and solvent CH₂Cl₂ at Ambient temperature. The reaction time is 2.5 hours. The yield is 72%.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(cc(F)cc1F)CO
(2)InChI: InChI=1/C7H5F3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3H2
(3)InChIKey: IAYKYKBQMLBYAI-UHFFFAOYAI