Name | 3-Chloro-2-fluorobenzaldehyde |
Synonyms | TIMTEC-BB SBB003987 3-CHLORO-2-FLUOROBENZALDEHYDE 3-Chloro-2-Flourobenzaldehyde 3-Chloro-2-fluorobenzaldehyde 2-fluoro-3-chloro-benzaldehyde Benzaldehyde,3-chloro-2-fluoro- |
CAS | 85070-48-0 |
InChI | InChI=1/C7H4ClFO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H |
InChIKey | YAOZCMANASAVFN-UHFFFAOYSA-N |
Molecular Formula | C7H4ClFO |
Molar Mass | 158.56 |
Density | 1.35 g/mL at 25 °C (lit.) |
Boling Point | 214 °C (lit.) |
Flash Point | 186°F |
Vapor Presure | 0.16mmHg at 25°C |
Appearance | clear liquid |
Color | Light orange to Yellow to Green |
BRN | 5861249 |
Storage Condition | Inert atmosphere,2-8°C |
Sensitive | Air Sensitive |
Refractive Index | n20/D 1.545(lit.) |
Physical and Chemical Properties | 3-chloro-2-fluorobenzaldehyde belongs to benzaldehyde compounds, which is a pale yellow liquid at normal temperature and pressure, and is easily oxidized in the air to produce white benzoic acid products, so it is generally required to be stored at low temperature. |
Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
WGK Germany | 3 |
HS Code | 29130000 |
Hazard Class | IRRITANT |
Use | 3-chloro-2-fluorobenzaldehyde is a useful intermediate in medicinal chemistry and organic synthesis, such as herbicides, synthetic intermediates for plant growth regulators. In a synthetic transformation, the aldehyde group in the structure can be easily converted to a hydroxyl group, or an imine structure; It can also be oxidized to the corresponding benzoic acid product. In addition, the halogen atom on the benzene ring may undergo a coupling reaction followed by derivatization at the 2,3 position of the benzene ring. |
synthesis method | to trans 3-(2-fluoro-3-chlorophenyl) to a solution of methyl -2-acrylate ((64mg,0.13mmol) in tetrahydrofuran (3ml) was added a solution of lithium hydroxide (16mg,0.65mmol) and after stirring overnight, acidify the reaction with 2m HCl, filter the precipitate and dry under vacuum, add diethyl ether and water to the residue, separate the organic layer, and dry the mixture over anhydrous sodium sulfate, the sodium sulfate solid was removed by filtration, the solvent was evaporated, and the residue was purified by column chromatography with (EtOAc/hexane = 3:7) to give 3-chloro-2-fluorobenzaldehyde. Figure 3-synthesis of chloro-2-fluorobenzaldehyde |