Name | 4-Chloro-3-fluorobenzaldehyde |
Synonyms | NORF-001 VHR DG CF 5527-95-7 TIMTEC-BB SBB003986 Fluoro-4-chlorobenzaldehyde 3-FLUORO-4-CHLOROBENZALDEHYDE 4-Chloro-3-fluorobenzaldehyde 4-CHLORO-3-FLUOROBENZALDEHYDE 4-Chlor-3-fluorbenzolcarbaldehyd (1Z)-1,2,3,3,3-pentafluoroprop-1-ene |
CAS | 5527-95-7 |
EINECS | 226-875-0 |
InChI | InChI=1/C3HF5/c4-1-2(5)3(6,7)8/h1H/b2-1- |
InChIKey | AZMDWRPTDCIFRD-UHFFFAOYSA-N |
Molecular Formula | C7H4ClFO |
Molar Mass | 158.56 |
Density | 1.3310 (estimate) |
Melting Point | 46-49 °C (lit.) |
Boling Point | 201.5°C (rough estimate) |
Flash Point | 206°F |
Water Solubility | Insoluble |
Vapor Presure | 2960mmHg at 25°C |
Appearance | Solid |
Color | White to yellow |
Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
Sensitive | Air Sensitive |
Refractive Index | 1.267 |
Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed R23/24/25 - Toxic 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
WGK Germany | 3 |
HS Code | 29124990 |
Hazard Class | IRRITANT |
application | 4-chloro-3-fluorobenzaldehyde is an organic intermediate, which can be prepared from 4-chloro-3-fluoroiodobenzene in one step. There are reports that it can be used to prepare piperlongum amide derivatives. |
Preparation | The reaction was carried out in an 80 ml Teflon-lined stainless steel reactor equipped with magnetic stirring rods. 4-chloro-3-fluoroiodobenzene (1.0 mmol), hydrated rhodium (III) chloride (0.025 mmol),PPh3(0.1 mmol),Et3N(1.2 mmol) and N,N-dimethylacetamide (2 mL) were loaded into the reactor in the glove box. Tighten the autoclave. Inject CO and H2 into the autoclave so that the total pressure is 10 bar(1:1). The mixture was transferred to an oil bath preheated at 90°C for 12 hours. The reaction is controlled by Haake-D3 temperature controller. After the reaction is complete, the reactor is cooled in ice water. Exhaust carefully. Add CH2Cl2(5 mL) to the reaction mixture. Add deionized water (10 mL) to the mixture to extract the solvent N,N-dimethylacetamide 5 times. Dry the organic layer with anhydrous Na2SO4. The organic layer is concentrated by rotary evaporation. The product was purified by silica gel column chromatography using n-hexane/ethyl acetate as eluent. |