3-Bromo-2-fluorobenzoic acid
- Product Name
- 3-Bromo-2-fluorobenzoic acid
- CAS No.
- 161957-56-8
- Chemical Name
- 3-Bromo-2-fluorobenzoic acid
- Synonyms
- BUTTPARK 14\01-30;3-Bromo-2-fluorobenzoic;3-BROMO-2-FLUOROBENZOIC ACID;Benzoic acid, 3-bromo-2-fluoro-;3-Bromo-2-fluorobenzoic acid,98%;3-Bromo-2-fluorobenzoic Acid >3-Bromo-2-fluorobenzoic acid 97%+;3-Bromo-2-fluorobenzoic acid 97%;2-fluoro-3-bromobenzoic acid,3-Bromo-2-fluoro-benzoic acid,3-Bromo-2-Fluorobenzoic acid
- CBNumber
- CB1670749
- Molecular Formula
- C7H4BrFO2
- Formula Weight
- 219.01
- MOL File
- 161957-56-8.mol
3-Bromo-2-fluorobenzoic acid Property
- Melting point:
- 168 °C
- Boiling point:
- 298.2±25.0 °C(Predicted)
- Density
- 1.789±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 2.88±0.10(Predicted)
- color
- White to Light yellow
- InChI
- InChI=1S/C7H4BrFO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)
- InChIKey
- UVKURTLVTLRSSM-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=CC(Br)=C1F
- CAS DataBase Reference
- 161957-56-8(CAS DataBase Reference)
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- B3929
- Product name
- 3-Bromo-2-fluorobenzoic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 1g
- Price
- $37
- Updated
- 2025/07/31
- Product number
- B3929
- Product name
- 3-Bromo-2-fluorobenzoic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 5g
- Price
- $111
- Updated
- 2025/07/31
- Product number
- B686025
- Product name
- 3-Bromo-2-fluorobenzoic Acid
- Packaging
- 100g
- Price
- $745
- Updated
- 2021/12/16
- Product number
- HCH0021197
- Product name
- 3-BROMO-2-FLUOROBENZOIC ACID
- Purity
- 95.00%
- Packaging
- 25G
- Price
- $625
- Updated
- 2021/12/16
- Product number
- 2621-B-32
- Product name
- 3-Bromo-2-fluorobenzoic acid
- Purity
- 98%
- Packaging
- 100g
- Price
- $200
- Updated
- 2021/12/16
3-Bromo-2-fluorobenzoic acid Chemical Properties,Usage,Production
Chemical Properties
Off-white powder
Uses
3-Bromo-2-fluorobenzoic acid is used as a reagent to synthesize Dabrafenib, an inhibitor of BRAF kinase that is used to treat BRAF V600-mutation positive carcinoma. BRAF is a gene that mediates cell growth and is activated by mutations caused by cancer. 3-Bromo-2-fluorobenzoic acid is also used as a reagent to prepare Alkynlphenoxyacetic acid receptor agonists, compounds that can be potentially used for the treatment of allergic inflammatory diseases (such as allergic rhinitis).
Synthesis
1072-85-1
124-38-9
161957-56-8
1. n-Butyl lithium (n-BuLi, 240 mL of a 2.5 M solution, 600 mmol) was added dropwise to a tetrahydrofuran (THF, 500 mL) solution of diisopropylamine (84.3 mL, 600 mmol) at -30°C. 2. The resulting solution was stirred at -30°C for 30 minutes. 3. The mixture was added dropwise to a solution of 1-bromo-2-fluorobenzene (100 g, 571.43 mmol) in THF (500 mL) at -78° C. The solution was stirred for 30 minutes at -78° C. The mixture was then added to a solution of 1-bromo-2-fluorobenzene (100 g, 571.43 mmol). 4. After the addition, the resulting solution was stirred at -78°C for 2 hours. 5. The reaction mixture was poured over crushed solid carbon dioxide. 6. After removal of the solvent in vacuo, the resulting residue was diluted with water and washed with ether (2 x 500 mL). 7. The aqueous phase was acidified to pH 2 with 1N hydrochloric acid (HCl). 8. The precipitate was collected by filtration and dried to give 3-bromo-2-fluorobenzoic acid (90 g, 64% yield) as a white solid. 9. Mass spectrometry (MS) analysis showed m/z 221.0 (M + H+).
References
[1] Bulletin de la Societe Chimique de France, 1996, vol. 133, # 2, p. 133 - 141
[2] Patent: WO2011/119704, 2011, A1. Location in patent: Page/Page column 39-40
[3] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 12, p. 4158 - 4181
[4] Patent: US2009/203657, 2009, A1. Location in patent: Page/Page column 47
[5] Patent: US2009/203677, 2009, A1. Location in patent: Page/Page column 50
3-Bromo-2-fluorobenzoic acid Preparation Products And Raw materials
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View Lastest Price from 3-Bromo-2-fluorobenzoic acid manufacturers
- Product
- 3-Bromo-2-fluorobenzoic acid 161957-56-8
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 20 mt
- Release date
- 2024-12-03
- Product
- 3-Bromo-2-fluorobenzoic acid 161957-56-8
- Price
- US $0.10/KG
- Min. Order
- 0.1KG
- Purity
- 99%HPLC
- Supply Ability
- 200TONS
- Release date
- 2019-12-24
- Product
- 2-Chloro-6-fluorobenzoic acid 434-75-3
- Price
- US $0.10/KG
- Min. Order
- 0.1KG
- Purity
- 97%HPLC
- Supply Ability
- 200TONS
- Release date
- 2019-12-24