Introduction：Basic information about 1-Bromo-4-chloro-2-fluorobenzene CAS 1996-29-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
1-Bromo-4-chloro-2-fluorobenzene Basic information
| Product Name: | 1-Bromo-4-chloro-2-fluorobenzene |
| Synonyms: | 1-Bromo-4-chloro-2-fluorobenzene 97%;4-CHLORO-2-FLUORO BROMOBENZENE;1-Bromo-4-chloro-2-fluorobenzene97%;2-BROMO-5-CHLORO-1-FLUOROBENZENE;2-BROMO-5-CHLOROFLUOROBENZENE;2-FLUORO-4-CHLOROBROMOBENZENE;1-BROMO-4-CHLORO-2-FLUOROBENZENE;2-tert-Butyl-4-(dicyanomethylene)-6-[2-(1,1,7,7-tetramethyljulolidin-9-yl)vinyl]-4H-pyran [This reagent can be used without further purification for display device research, etc.] |
| CAS: | 1996-29-8 |
| MF: | C6H3BrClF |
| MW: | 209.44 |
| EINECS: | |
| Product Categories: | Fluorine series;Building Blocks;Chemical Synthesis;Fluorinated Building Blocks;Halogenated Hydrocarbons;Organic Building Blocks;Bromine Compounds;Chlorine Compounds;Aryl;C6;Halogenated Hydrocarbons;Aryl Fluorinated Building Blocks;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks;Aromatic Halides (substituted);Fluorine Compounds;Aromatics |
| Mol File: | 1996-29-8.mol |
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1-Bromo-4-chloro-2-fluorobenzene Chemical Properties
| Boiling point | 91-92 °C/20 mmHg (lit.) |
| density | 1.678 g/mL at 25 °C (lit.) |
| refractive index | n20/D 1.556(lit.) |
| Fp | 198 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | Liquid |
| color | Clear colorless to pale yellow |
| Specific Gravity | 1.678 |
| Water Solubility | INSOLUBLE |
| BRN | 2081083 |
| InChI | InChI=1S/C6H3BrClF/c7-5-2-1-4(8)3-6(5)9/h1-3H |
| InChIKey | FPNVMCMDWZNTEU-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(Cl)C=C1F |
| CAS DataBase Reference | 1996-29-8(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 37/39-26-24/25 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29039990 |
| Storage Class | 10 - Combustible liquids |
1-Bromo-4-chloro-2-fluorobenzene Usage And Synthesis
| Chemical Properties | CLEAR COLORLESS TO PALE YELLOW LIQUID |
| Uses | A 2,4-dihalofluorobenzene derivative with antibacterial and antifungal activities. |
| Uses | 1-Bromo-4-chloro-2-fluorobenzene may be used in the preparation of benzonorbornadiene derivative. It may also be used as a starting material in the multi-step synthesis of AZD3264, an IKK2 (inhibitor of nuclear factor κ-B kinase-2) inhibitor. |
| General Description | 1-Bromo-4-chloro-2-fluorobenzene is a polyhalo substituted benzene. It undergoes Suzuki coupling with 2-cyanoarylboronic esters to form the corresponding biphenyls. These biphenyls are the precursors for synthesizing 6-substituted phenanthridines. The enthalpy of vaporization at boiling point (467.15K) of 1-bromo-4-chloro-2-fluorobenzene is 40.737kjoule/mol. |
| Pharmaceutical Applications | 1-Bromo-4-chloro-2-fluorobenzene serves as a crucial building block for synthesizing brilanestrant, a selective estrogen receptor degrader used in the treatment of breast cancer. It controls the potency on the degradation of estrogen receptor 1 (ERα), demonstrating an effective concentration of 0.7 nM. |
1-Bromo-4-chloro-2-fluorobenzene Preparation Products And Raw materials
| Raw materials | 4-Chloro-2-fluoroaniline |
| Preparation Products | 1-Boc-4-(4-chloro-2-fluorophenyl)piperazine-->1-Pyrrolidinecarboxylic acid, 3-(2-bromo-5-chlorophenoxy)-, 1,1-dimethylethyl ester, (3S)--->4-Chloro-2-fluorophenylboronic acid |
