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2-Fluorobenzyl alcohol

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Name

2-Fluorobenzyl alcohol

EINECS 207-170-7
CAS No. 446-51-5 Density 1.173 g/cm3
PSA 20.23000 LogP 1.31800
Solubility N/A Melting Point 91-94 °C
Formula C7H7FO Boiling Point 196.1 °C at 760 mmHg
Molecular Weight 126.13 Flash Point 90.6 °C
Transport Information N/A Appearance Clear colorless to slightly yellow liquid
Safety 23-24/25-45-36/37/39-27-26 Risk Codes 14-34-36/37
Molecular Structure Molecular Structure of 446-51-5 (2-Fluorobenzyl alcohol) Hazard Symbols IrritantXi, CorrosiveC
Synonyms

(2-Fluorophenyl)methanol;2-Fluorobenzylic alcohol;o-Fluorobenzyl alcohol;o-Fluoro Benzylalcohol;

Article Data 97

2-Fluorobenzyl alcohol Specification

The 2-Fluorobenzyl alcohol with CAS registry number of 446-51-5 is also known as o-Fluoro Benzylalcohol. The IUPAC name is (2-Fluorophenyl)methanol. It belongs to product categories of Benzhydrols, Benzyl & Special Alcohols; Alcohol; Alcohols; Fluorine Compounds; C7 to C8; Oxygen Compounds. Its EINECS registry number is 207-170-7. In addition, the formula is C7H7FO and the molecular weight is 126.13. This chemical is a clear colorless to slightly yellow liquid and should be sealed in a ventilated and dry place away from oxidizing agents.

Physical properties about 2-Fluorobenzyl alcohol are: (1)ACD/LogP: 1.09; (2)ACD/LogD (pH 5.5): 1.09; (3)ACD/LogD (pH 7.4): 1.09; (4)ACD/BCF (pH 5.5): 3.94; (5)ACD/BCF (pH 7.4): 3.94; (6)ACD/KOC (pH 5.5): 92.88; (7)ACD/KOC (pH 7.4): 92.88; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.52; (12)Molar Refractivity: 32.69 cm3; (13)Molar Volume: 107.4 cm3; (14)Surface Tension: 38.6 dyne/cm; (15)Density: 1.173 g/cm3; (16)Flash Point: 90.6 °C; (17)Enthalpy of Vaporization: 45.71 kJ/mol; (18)Boiling Point: 196.1 °C at 760 mmHg; (19)Vapour Pressure: 0.252 mmHg at 25 °C.

Preparation of 2-Fluorobenzyl alcohol: it is prepared by reaction of 2-fluoro-benzaldehyde. The reaction needs reagent diisopropoxyaluminium trifluoroacetate and solvent CH2Cl2 at ambient temperature for 30 minutes. The yield is about 100%.

2-Fluorobenzyl alcohol is prepared by reaction of 2-fluoro-benzaldehyde.

Uses of 2-Fluorobenzyl alcohol: it is used to produce 1-chloromethyl-2-fluoro-benzene. The reaction occurs with reagent PCl5 and solvent CCl4 at the temperature of 20 °C for 1 hour. The yield is about 78%. The chemical is also used as intermediate of pharmaceutical, pesticide and liquid crystal.

2-Fluorobenzyl alcohol is used to produce 1-chloromethyl-2-fluoro-benzene.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes and respiratory system. Besides, it reacts violently with water and may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. Avoid contact with skin and eyes and do not breathe gas/fumes/vapour/spray. After using it, take off immediately all contaminated clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C(=C1)CO)F
2. InChI: InChI=1S/C7H7FO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
3. InChIKey: QEHXDOJPVIHUDO-UHFFFAOYSA-N 

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