alpha-Chloro-o-fluorotoluene

The o-Fluorobenzyl chloride with cas registry number of 345-35-7 is also known as alpha-Chloro-o-fluorotoluene. Both its systematic name and IUPAC name are the same which is called 1-(chloromethyl)-2-fluorobenzene. This chemical is colorless to light yellow liquid which is sensitive to lachrymatory. It has the EINECS registry number which is 206-460-0.

The physical properties about this chemical are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 50.04; (6)ACD/BCF (pH 7.4): 50.04; (7)ACD/KOC (pH 5.5): 572.8; (8)ACD/KOC (pH 7.4): 572.8; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 36.01 cm³; (14)Molar Volume: 121.3 cm³; (15)Surface Tension: 32.4 dyne/cm; (16)Density: 1.191 g/cm³; (17)Flash Point: 57.2 °C; (18)Enthalpy of Vaporization: 39.58 kJ/mol; (19)Boiling Point: 176.4 °C at 760 mmHg; (20)Vapour Pressure: 1.47 mmHg at 25°C; (21)Refractive index: 1.514-1.516.

Preparation of o-Fluorobenzyl chloride: it can be prepared by 2-fluoro-benzyl alcohol with reagent PCl₅, solvent CCl₄ at temperature of 20 ℃. The reaction time is about 1 hour with 76% yield.

Uses of o-Fluorobenzyl chloride: this chemical can react with 2-amino-pyridin-3-ol to produce 3-(2-fluoro-benzyloxy)-pyridin-2-ylamine by using reagent aq. NaOH, catalyst Adogen 464 <*>, and solvent CH₂Cl₂ at temperature of 25 ℃. The reaction time is 16 hours with 74% yield.

When you are using this chemical, please be cautious about it as the following:
This chemcial can cause burns. And it is harmful by inhalation, in contact with skin and if swallowed. Therefore, wear suitable protective clothing, gloves and eye/face protection during using it. And take off immediately all contaminated clothing after using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ccccc1F;
(2)InChI: InChI=1/C7H6ClF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2;
(3)InChIKey: MOBRMRJUKNQBMY-UHFFFAOYAF