3-Bromo-4-fluorobenzaldehyde CAS 77771-02-9
Introduction：Basic information about 3-Bromo-4-fluorobenzaldehyde CAS 77771-02-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Bromo-4-fluorobenzaldehyde Basic information
| Product Name: | 3-Bromo-4-fluorobenzaldehyde |
| Synonyms: | 3-BROMO-4-FLUOROBENZALDEHYDE;LABOTEST-BB LT01143325;3-Bromo-4-fluorobenzaldehyde 98%;3-Bromo-4-fluorobenzaldehyde98%;3-Bromo-4-fluorobenz;3-Bromo-fluorobenzyldehyde;Benzaldehyde, 3-bromo-4-fluoro-;3-Bromo-4-fluorobenzaldehyde,99% |
| CAS: | 77771-02-9 |
| MF: | C7H4BrFO |
| MW: | 203.01 |
| EINECS: | 278-764-1 |
| Product Categories: | Halogenated Heterocycles ,Pyrans;Benzaldehyde series;Aromatic Aldehydes & Derivatives (substituted);Benzaldehyde;Miscellaneous;Adehydes, Acetals & Ketones;Bromine Compounds;Fluorine Compounds;Aldehydes;C7;Carbonyl Compounds;Fluorobenzene;Fluorin-contained benzaldehyde series;bc0001 |
| Mol File: | 77771-02-9.mol |
3-Bromo-4-fluorobenzaldehyde Chemical Properties
| Melting point | 31-33 °C (lit.) |
| Boiling point | 138-139 °C/2.5 mmHg (lit.) |
| density | 1.6698 (rough estimate) |
| refractive index | 1.574 |
| Fp | >230 °F |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | Low Melting Solid |
| color | White to light yellow |
| Water Solubility | INSOLUBLE |
| Sensitive | Air Sensitive |
| BRN | 5806226 |
| InChI | InChI=1S/C7H4BrFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H |
| InChIKey | FAHZIKXYYRGSHF-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(F)C(Br)=C1 |
| CAS DataBase Reference | 77771-02-9(CAS DataBase Reference) |
| EPA Substance Registry System | Benzaldehyde, 3-bromo-4-fluoro- (77771-02-9) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 22-36/37/38 |
| Safety Statements | 26-36-37/39 |
| WGK Germany | 2 |
| TSCA | TSCA listed |
| HazardClass | IRRITANT |
| HS Code | 29130000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Chemical Properties | white to light yellow low melting solid |
| Uses | 3-Bromo-4-fluorobenzaldehyde can be used for pest control. |
| Uses | 3-Bromo-4-fluorobenzaldehyde was used in the synthesis of 4-fluoro-3-phenoxybenzoic acid-glycine. It was also used in the synthesis of Schiff bases of 4-nitroaniline/ 2,4-dinitroaniline/3,4-dichloroaniline/4-methoxy-3-nitro aniline via ultrasound irradiation method. |
| Synthesis | A synthetic method of 3-bromo-4-fluorobenzaldehyde comprises the following steps: (1) dissolving 4-fluorobenzaldehyde in dichloromethane to obtain a solution A; (2) dissolving sodium bromide in pure water and adding 35% hydrochloric acid while stirring to obtain a solution B; (3) mixing the solution A and the solution B, starting ultrasonic waves, and dropwise adding a sodium hypochlorite aqueous solution under stirring; (4) after the dripping is finished, carrying out ultrasonic treatment, keeping the temperature under stirring, and then standing; (5) phase separation, washing dichloromethane phase to neutrality, drying and desolventizing; (6) obtaining a crude product, and carrying out bulk melting crystallization at 31 ℃ to obtain a pure product. |
| References | [1] Patent: WO2010/86877, 2010, A2. Location in patent: Page/Page column 11-12 [2] Patent: US5225607, 1993, A [3] Patent: US4791139, 1988, A [4] Patent: US4792563, 1988, A [5] Patent: EP240121, 1991, B1 |
3-Bromo-4-fluorobenzaldehyde Preparation Products And Raw materials
| Raw materials | 4-Fluorobenzaldehyde |
| Preparation Products | 4-Fluoro-3-phenoxybenzaldehyde-->Benzonitrile, 2-fluoro-5-(hydroxymethyl)- (9CI)-->3-BROMO-4-FLUOROCINNAMIC ACID-->2-Propenoic acid, 3-(3-bromo-4-fluorophenyl)-, ethyl ester, (2E)--->3-bromo-4-(methylsulfanyl)benzaldehyde-->Methyl (2Z)-3-(3-bromo-4-fluorophenyl)-2-acetamidoprop-2-enoate-->3-BROMO-4-FLUOROBENZALDOXIME-->2-Fluoro-5-formylphenylboronic acid pinacol ester |
