3-Fluorobenzyl alcohol

The CAS registry number of 3-Fluorobenzyl alcohol is 456-47-3. The IUPAC name is (3-fluorophenyl)methanol. Its EINECS registry number is 207-265-3. In addition, the molecular formula is C₇H₇FO and the molecular weight is 126.13. It is a kind of clear colorless liquid and belongs to the classes of Benzhydrols, Benzyl & Special Alcohols; Alcohol; Alcohols; Fluorine Compounds; C7 to C8; Oxygen Compounds. What's more, it should be stored in a cool, ventilated and dry place, and avoid it contact with other oxide.

Physical properties about this chemical are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.94; (6)ACD/BCF (pH 7.4): 3.94; (7)ACD/KOC (pH 5.5): 92.88; (8)ACD/KOC (pH 7.4): 92.88; (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: 1.52; (14)Molar Refractivity: 32.69 cm³; (15)Molar Volume: 107.4 cm³; (16)Polarizability: 12.96 ×10^-24cm³; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.173 g/cm³; (19)Flash Point: 90.6 °C; (20)nthalpy of Vaporization: 46.6 kJ/mol; (21)Boiling Point: 204.5 °C at 760 mmHg; (22)Vapour Pressure: 0.159 mmHg at 25°C.

Preparation of 3-Fluorobenzyl alcohol: it can be prepared by 3-fluoro-benzaldehyde. This reaction will need reagent H₂, catalyst Et₄N and solvent 1,2-dimethoxy-ethane. The reaction time is 13 hours at reaction temperature of 100 °C with reaction pressure 38000.004 Pa. The yield is about 100%.

Uses of 3-Fluorobenzyl alcohol: it is used as intermediate of the medicine, the agricultural chemicals and liquid crystal materials. And it can react with 4-chloro-2-phenyl-quinazoline to get 4-(3-fluorobenzyloxy)-2-phenylquinazoline. This reaction will need reagent NaH. The yield is about 96% by heating.

When you are using this chemical, please be cautious about it as the following:
It can react violently with water can cause burns. And it is irritating to eyes and respiratory system. During using it, you should avoid contact with skin and eyes and wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible). In addition, take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. This material may have harm to the environment, especially to the water.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1)CO
(2)InChI: InChI=1/C7H7FO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
(3)InChIKey: QDHRSLFSDGCJFX-UHFFFAOYAI