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19064-18-7

Basic Information
CAS No.: 19064-18-7
Name: 2,6-Difluorobenzyl alcohol
Article Data: 7
Molecular Structure:
Molecular Structure of 19064-18-7 (2,6-Difluorobenzyl alcohol)
Formula: C7H6F2O
Molecular Weight: 144.121
Synonyms: Benzylalcohol, 2,6-difluoro- (8CI);(2,6-Difluorophenyl)methanol;2,6-Difluorobenzenemethanol;
EINECS: 242-792-2
Density: 1.29 g/cm3
Melting Point: 168.5-169 °C
Boiling Point: 188.6 °C at 760 mmHg
Flash Point: 88.9 °C
Solubility: Not miscible or difficult to mix in water.
Appearance: clear colorless to light yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 20.23000
LogP: 1.45710
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Specification

The CAS registry number of 2,6-Difluorobenzyl alcohol is 19064-18-7. In addition, the molecular formula is C7H6F2O and the molecular weight is 144.12. The systematic name is (2,6-difluorophenyl)methanol. What's more, it is a irritating chemical and should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 4.61; (6)ACD/BCF (pH 7.4): 4.61; (7)ACD/KOC (pH 5.5): 103.88; (8)ACD/KOC (pH 7.4): 103.88; (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: 1.497; (14)Molar Refractivity: 32.69 cm3; (15)Molar Volume: 111.6 cm3; (16)Polarizability: 12.96 ×10-24cm3; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 88.9 °C; (20)Enthalpy of Vaporization: 44.92 kJ/mol; (21)Boiling Point: 188.6 °C at 760 mmHg; (22)Vapour Pressure: 0.378 mmHg at 25°C.

Uses of 2,6-Difluorobenzyl alcohol: it can be used to get 2-(bromomethyl)-1,3-difluorobenzene. This reaction will need reagents tionyl bromide and pyridine, and solvent CH2Cl2. The reaction time is 5 hours by heating. And the yield is about 73%.

2,6-Difluorobenzyl alcohol can be used to get 2-(bromomethyl)-1,3-difluorobenzene.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(F)c1CO
(2)Std.InChI: InChI=1S/C7H6F2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
(3)Std.InChIKey: LVICICZQETYOGS-UHFFFAOYSA-N