| Identification | More | [Name]
4-Chloro-3-fluorobenzaldehyde | [CAS]
5527-95-7 | [Synonyms]
3-FLUORO-4-CHLOROBENZALDEHYDE 4-CHLORO-3-FLUOROBENZALDEHYDE TIMTEC-BB SBB003986 4-Chloro-3-fluorobenzaldehyde 98% 4-Chloro-3-fluorobenzaldehyde98% | [EINECS(EC#)]
226-875-0 | [Molecular Formula]
C7H4ClFO | [MDL Number]
MFCD00143288 | [Molecular Weight]
158.56 | [MOL File]
5527-95-7.mol |
| Questions And Answer | Back Directory | [Synthesis]

The reaction was carried out in an 80 mL Teflon-lined stainless steel reactor equipped with a magnetic stir bar. 4-Chloro-3-fluoroiodobenzene (1.0 mmol), rhodium(III) chloride hydrate (0.025 mmol), PPh3 (0.1 mmol), Et3N (1.2 mmol), and N,N-dimethylacetamide (2 mL) were added to the reactor in a glove box. The autoclave was tightened. CO and H2 were injected into the autoclave to bring the total pressure to 10 bar (1:1). The mixture was transferred to an oil bath preheated at 90°C for 12 hours. The reaction was controlled using a Haake-D3 temperature controller. After the reaction was complete, the reactor was cooled in ice water. The atmosphere was carefully vented. Add 5 mL of CH₂Cl₂ to the reaction mixture. Add 10 mL of deionized water to the mixture and extract five times with the solvent N,N-dimethylacetamide. Dry the organic layer with anhydrous Na₂SO₄. Concentrate the organic layer by rotary evaporation. Purify the product by silica gel column chromatography using n-hexane/ethyl acetate as eluent. |
| Chemical Properties | Back Directory | [Appearance]
whitetolightyellowcrystalpowde | [Melting point ]
46-49 °C (lit.) | [Boiling point ]
201.5°C (rough estimate) | [density ]
1.3310 (estimate) | [Fp ]
206 °F
| [storage temp. ]
Refrigerator | [form ]
Solid | [color ]
White to yellow | [Water Solubility ]
Insoluble | [Sensitive ]
Air Sensitive | [InChI]
InChI=1S/C7H4ClFO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H | [InChIKey]
AZMDWRPTDCIFRD-UHFFFAOYSA-N | [SMILES]
C(=O)C1=CC=C(Cl)C(F)=C1 | [CAS DataBase Reference]
5527-95-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn,T | [Risk Statements ]
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 Statements ]
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 label where possible) . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29124990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
whitetolightyellowcrystalpowde | [Uses]
4-Chloro-3-fluorobenzaldehyde is an organic intermediate that can be prepared from 4-chloro-3-fluoroiodobenzene in one step. It has been reported in the literature that it can be used to prepare piperidine derivatives. |
|
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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Jia Xing Isenchem Co.,Ltd
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0573-85285100 18627885956 |
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https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
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