| Identification | More | [Name]
1-Bromo-4-chloro-2-fluorobenzene | [CAS]
1996-29-8 | [Synonyms]
1-BROMO-4-CHLORO-2-FLUOROBENZENE
2-BROMO-5-CHLORO-1-FLUOROBENZENE
2-BROMO-5-CHLOROFLUOROBENZENE
2-FLUORO-4-CHLOROBROMOBENZENE
1-Bromo-4-chloro-2-fluorobenzene 97%
4-CHLORO-2-FLUORO BROMOBENZENE
1-Bromo-4-chloro-2-fluorobenzene97% | [Molecular Formula]
C6H3BrClF | [MDL Number]
MFCD00079708 | [Molecular Weight]
209.44 | [MOL File]
1996-29-8.mol |
| Questions And Answer | Back Directory | [Synthesis]
At a bath temperature of -10°C, a solution (40 mL) of sodium nitrite (2.35 g, 34.13 mmol) was added dropwise to 170 mL of HBr containing 4-chloro-2-fluoroaniline (4.5 g, 31 mmol), and the mixture was stirred at a bath temperature of -10°C for 30 minutes. Simultaneously, copper sulfate (10.22 g, 24.29 mmol) and sodium bromide (3.79 g, 36.8 mmol) were mixed, and the reaction mixture was heated at 60°C for 30 minutes. Then, sodium sulfite (2.66 g, 21.2 mmol) was added to this copper sulfate reaction mixture, and the mixture was heated at 95°C for 30 minutes. The reaction mixture was cooled to room temperature and washed with water to give cuprous bromide as a white solid. The diazonium salt was added in a single addition to freshly prepared cuprous bromide in 40 mL of HBr at a bath temperature of -10 °C, and the reaction mixture was then allowed to return to room temperature. The reaction mixture was heated at 55 °C for 20 minutes, cooled, and then extracted three times with ethyl acetate. The combined organic layers were washed with water and saturated brine, dried over sodium sulfate, and concentrated. The crude substance was purified by column chromatography (5:95 ethyl acetate:petroleum ether) to give a solid product. |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLORLESS TO PALE YELLOW LIQUID | [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) |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR COLORLESS TO PALE YELLOW LIQUID | [Uses]
A 2,4-dihalofluorobenzene derivative with antibacterial and antifungal activities. | [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.{4} | [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. |
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| Company Name: |
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 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
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| Telephone: |
0573-85285100 18627885956 |
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https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
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