2-Chloro-6-fluorobenzaldehyde

The IUPAC name of this chemical is 2-Chloro-6-fluorobenzaldehyde. With the CAS registry number 387-45-1 and EINECS registry number 206-860-5, it is also named as benzaldehyde, 2-chloro-6-fluoro-. In addition, the molecular formula is C₇H₄ClFO and the molecular weight is 158.56. It is a kind of white to yellow crystalline solid and should be stored in a cool and dry place. And it can be used as a pharmaceutical intermediate.

Physical properties about this chemical are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 2.04; (3)ACD/LogD (pH 7.4): 2.04; (4)ACD/BCF (pH 5.5): 20.75; (5)ACD/BCF (pH 7.4): 20.75; (6)ACD/KOC (pH 5.5): 305.01; (7)ACD/KOC (pH 7.4): 305.01; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 37.89 cm³; (13)Molar Volume: 117.2 cm³; (14)Polarizability: 15.02 ×10^-24cm³; (15)Surface Tension: 40.2 dyne/cm; (16)Density: 1.352 g/cm³; (17)Flash Point: 77.1 °C; (18)Enthalpy of Vaporization: 44.01 kJ/mol; (19)Boiling Point: 203.8 °C at 760 mmHg; (20)Vapour Pressure: 0.272 mmHg at 25°C.

Preparation of 2-Chloro-6-fluorobenzaldehyde: it can be prepared by 2-chloro-6-fluorinetoluene and bromide in the presence of concentrated sulfuric acid. In addition, 2-chloro-6-fluorinetoluene also can react with CrO₂Cl₂ to give the product in the presence of carbon disulfide.

Uses of 2-Chloro-6-fluorobenzaldehyde: it can be used to get 2-chloro-6-fluoro-benzaldehyde-oxime. This reaction will need reagents NH₂OH*HCl and silica gel. The reaction time is 3 minutes with microwave irradiation. And the yield is about 98%.

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: O=Cc1c(F)cccc1Cl
(2)Std.InChI: InChI=1S/C7H4ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
(3)Std.InChIKey: OACPOWYLLGHGCR-UHFFFAOYSA-N