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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 | Hazard Symbols | Xi, C | |
Synonyms |
(2-Fluorophenyl)methanol;2-Fluorobenzylic alcohol;o-Fluorobenzyl alcohol;o-Fluoro Benzylalcohol; |
Article Data | 97 |
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%.
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.
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