Introduction：Basic information about 4-Fluorobenzaldehyde CAS 459-57-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Fluorobenzaldehyde Basic information
| Product Name: | 4-Fluorobenzaldehyde |
| Synonyms: | JACS-459-57-4;4-Fluorobenzaldehyde, p-Fluorobenzaldehyde, Benzaldehyde 4-fluoro-, 4-fluoro-benzaldehyde;Paroxetine Impurity 58;4-fluoro-benzaldehyd;Benzaldehyde, p-fluoro-;PFAD;PFBA;P-FLUOROBENZALDEHYDE |
| CAS: | 459-57-4 |
| MF: | C7H5FO |
| MW: | 124.11 |
| EINECS: | 207-293-6 |
| Product Categories: | Aldehydes;C7;Carbonyl Compounds;Fluoro-Aromatics;Benzaldehyde;Fluorobenzene;Adehydes, Acetals & Ketones;Fluorine Compounds;Atorvastatin Calcium;Pharmaceutical Intermediate;bc0001;459-57-4 |
| Mol File: | 459-57-4.mol |
|
4-Fluorobenzaldehyde Chemical Properties
| Melting point | -10 °C (lit.) |
| Boiling point | 181 °C/758 mmHg (lit.) |
| density | 1.157 g/mL at 25 °C (lit.) |
| vapor pressure | 19 hPa (70 °C) |
| refractive index | n20/D 1.521(lit.) |
| Fp | 134 °F |
| storage temp. | Store below +30°C. |
| solubility | Chloroform, Methanol |
| form | Liquid |
| color | Clear colorless to yellow |
| Specific Gravity | 1.157 |
| Water Solubility | IMMISCIBLE |
| Sensitive | Air Sensitive |
| BRN | 385857 |
| Stability: | Air Sensitive |
| InChI | 1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H |
| InChIKey | UOQXIWFBQSVDPP-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1ccc(F)cc1 |
| CAS DataBase Reference | 459-57-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzaldehyde, 4-fluoro-(459-57-4) |
| EPA Substance Registry System | Benzaldehyde, 4-fluoro- (459-57-4) |
Safety Information
| Hazard Codes | Xi,F |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-37/39-36/37/39-27 |
| RIDADR | UN 1989 3/PG 3 |
| WGK Germany | 2 |
| F | 9-23 |
| Hazard Note | Flammable |
| TSCA | TSCA listed |
| HazardClass | 3.2 |
| PackingGroup | III |
| HS Code | 29130000 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Irrit. 2
Flam. Liq. 3 |
4-Fluorobenzaldehyde Usage And Synthesis
| Chemical Properties | Clear colorless to yellow liquid |
| Uses | Usually used in the preparation of pyrazolopyridine UR-13756. |
| Uses | 4-Fluorobenzaldehyde is used in the preparation of pyrazolopyridine derivative, which finds application as mitogen-activated protein kinase (MAPK) inhibitor. It also serves as a synthetic intermediate in the preparation of pharmaceutical compounds. |
| Uses | 4-Fluorobenzaldehyde is a fluorinated benzaldehyde with inhibitory activity of mushroom tyrosinase. 4-Fluorobenzaldehyde is commonly used as a synthetic intermediate in the preparation of pharmaceutical compounds. |
| Synthesis | 4-Fluorobenzaldehyde is produced by a commercially feasible process. The process comprises heating a mixture of fluorobenzene and a strong Lewis acid with dissolved hydrogen halide in an atmosphere of carbon monoxide at about 45 to about 100° C. and at a total pressure of about 150 psig up to the maximum pressure rating of the reactor. Formed is a reaction mass containing a Lewis acid complex of 4-fluorobenzaldehyde and at least a halobis(fluorophenyl)methane by-product. The complex is broken by quenching the reaction mass with a Lewis acid-solvating liquid to liberate 4-fluorobenzaldehyde. By-product halobis(fluorophenyl)methane is converted to di(fluorophenyl)methanol to avoid potential corrosion problems and formation of light-sensitive color bodies in the recovered 4-fluorobenzaldehyde. |
4-Fluorobenzaldehyde Preparation Products And Raw materials
| Raw materials | 4-Chlorobenzaldehyde-->4-Chlorotoluene-->p-Fluorotoluene |
| Preparation Products | (5-Fluoro-2-methyl-1H-inden-3-yl)acetic acid-->4-Pyrazol-1-yl-benzaldehyde-->2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide-->4-Fluorobenzoic acid-->Rosiglitazone-->4-(1H-Imidazol-1-yl)benzaldehyde-->4-N-PROPOXYBENZALDEHYDE-->4-Fluoro-3-phenoxybenzaldehyde-->4-Fluorocinnamic acid-->3-Bromo-4-fluorobenzaldehyde-->DL-3-(4-Fluorophenyl)alanine-->6-Fluoro-1-indanone-->P-TOLUENESULFINIC ACID-->4-Fluorostyrene-->Paroxetine Related Impurity 9-->Bis(4-fluorophenyl)-methanone-->Benzeneacetonitrile, 4-fluoro-α-hydroxy--->BMN 673 |
