ChemicalBook > CAS DataBase List > 3-Bromo-2-fluorobenzoic acid

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
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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)
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Safety

Hazard Codes 
Xi
Risk Statements 
36
Safety Statements 
26
HazardClass 
IRRITANT
HS Code 
2916399090
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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.

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N-Bromosuccinimide Price

TCI Chemical
Product number
B3929
Product name
3-Bromo-2-fluorobenzoic Acid
Purity
>98.0%(GC)(T)
Packaging
1g
Price
$37
Updated
2025/07/31
TCI Chemical
Product number
B3929
Product name
3-Bromo-2-fluorobenzoic Acid
Purity
>98.0%(GC)(T)
Packaging
5g
Price
$111
Updated
2025/07/31
TRC
Product number
B686025
Product name
3-Bromo-2-fluorobenzoic Acid
Packaging
100g
Price
$745
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
HCH0021197
Product name
3-BROMO-2-FLUOROBENZOIC ACID
Purity
95.00%
Packaging
25G
Price
$625
Updated
2021/12/16
SynQuest Laboratories
Product number
2621-B-32
Product name
3-Bromo-2-fluorobenzoic acid
Purity
98%
Packaging
100g
Price
$200
Updated
2021/12/16
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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

Raw materials

Preparation Products

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3-Bromo-2-fluorobenzoic acid Suppliers

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View Lastest Price from 3-Bromo-2-fluorobenzoic acid manufacturers

Hebei Chuanghai Biotechnology Co., Ltd
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
Shaanxi Dideu Medichem Co. Ltd
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
Shaanxi Dideu Medichem Co. Ltd
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

161957-56-8, 3-Bromo-2-fluorobenzoic acidRelated Search:


  • 3-Bromo-2-fluorobenzoic acid 97%
  • Benzoic acid, 3-bromo-2-fluoro-
  • BUTTPARK 14\01-30
  • 3-BROMO-2-FLUOROBENZOIC ACID
  • 3-Bromo-2-fluorobenzoic
  • 3-Bromo-2-fluorobenzoic acid 97%+
  • 3-Bromo-2-fluorobenzoic Acid &gt
  • 2-fluoro-3-bromobenzoic acid,3-Bromo-2-fluoro-benzoic acid,3-Bromo-2-Fluorobenzoic acid
  • 3-Bromo-2-fluorobenzoic acid,98%
  • 161957-56-8
  • C7H4BrFO2
  • C7H4BrF2
  • Carboxylic acid
  • Benzoic acid
  • API intermediates
  • Acids and Derivatives
  • Halides
  • Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts