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2,3,5-Trifluorobenzyl alcohol

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Name

2,3,5-Trifluorobenzyl alcohol

EINECS N/A
CAS No. 67640-33-9 Density 1.398 g/cm3
PSA 20.23000 LogP 1.59620
Solubility N/A Melting Point 172-175?°C(lit.)
Formula C7H5F3O Boiling Point 183.7 °C at 760 mmHg
Molecular Weight 162.111 Flash Point 79.4 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 67640-33-9 (2,3,5-Trifluorobenzyl alcohol) Hazard Symbols IrritantXi
Synonyms

(2,3,5-Trifluorophenyl)methanol;2,3,5-Trifluorobenzyl alcohol;

Article Data 2

2,3,5-Trifluorobenzyl alcohol Specification

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

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