3-Bromo-4-fluorobenzoic acid
- Product Name
- 3-Bromo-4-fluorobenzoic acid
- CAS No.
- 1007-16-5
- Chemical Name
- 3-Bromo-4-fluorobenzoic acid
- Synonyms
- BUTTPARK 20\01-58;RARECHEM AL BO 0604;3-bromo-4-fluorobenzoate;Enzalutamide Impurity 36;Bromo-4-fluoro-benzoic acid;3-BROMO-4-FLUOROBENZOIC ACID;3-BROMO-4-FIUOROBENZOIC ACID;3-Bromo-4-fluorobenzoicacid98%;Benzoic acid, 3-bromo-4-fluoro-;3-Bromo-4-fluorobenzoic Acid >
- CBNumber
- CB6146555
- Molecular Formula
- C7H4BrFO2
- Formula Weight
- 219.01
- MOL File
- 1007-16-5.mol
3-Bromo-4-fluorobenzoic acid Property
- Melting point:
- 138-140 °C (lit.)
- Boiling point:
- 306.6±27.0 °C(Predicted)
- Density
- 1.789±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.75±0.10(Predicted)
- form
- Crystalline Powder
- color
- White to slightly beige
- InChI
- InChI=1S/C7H4BrFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
- InChIKey
- ONELILMJNOWXSA-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(F)C(Br)=C1
- CAS DataBase Reference
- 1007-16-5(CAS DataBase Reference)
- EPA Substance Registry System
- Benzoic acid, 3-bromo-4-fluoro- (1007-16-5)
Safety
- Hazard Codes
- Xi
- Risk Statements
- 36/37/38
- Safety Statements
- 26-37/39-36
- WGK Germany
- 3
- HazardClass
- IRRITANT
- HS Code
- 29163990
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
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
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
- 341355
- Product name
- 3-Bromo-4-fluorobenzoic acid
- Purity
- 95%
- Packaging
- 1g
- Price
- $24
- Updated
- 2023/06/20
- Product number
- B2133
- Product name
- 3-Bromo-4-fluorobenzoic Acid
- Purity
- >96.0%(T)
- Packaging
- 1g
- Price
- $27
- Updated
- 2025/07/31
- Product number
- B2133
- Product name
- 3-Bromo-4-fluorobenzoic Acid
- Purity
- >96.0%(T)
- Packaging
- 5g
- Price
- $78
- Updated
- 2025/07/31
- Product number
- B683880
- Product name
- 3-Bromo-4-fluorobenzoic acid
- Packaging
- 25g
- Price
- $140
- Updated
- 2021/12/16
- Product number
- HCH0021251
- Product name
- 3-BROMO-4-FLUORO BENZOIC ACID
- Purity
- 95.00%
- Packaging
- 25G
- Price
- $1068.38
- Updated
- 2021/12/16
3-Bromo-4-fluorobenzoic acid Chemical Properties,Usage,Production
Chemical Properties
white to light yellow crystal powder
Uses
3-Bromo-4-fluorobenzoic acid may be used in chemical synthesis.
Synthesis
77771-02-9
1007-16-5
General procedure for the synthesis of 3-bromo-4-fluorobenzoic acid from 3-bromo-4-fluorobenzaldehyde: Sodium chlorite (6.78 g, 75 mmol) and 3-bromo-4-fluorobenzaldehyde (24.63 mmol) were dissolved in a 1:1 mixture of tetrahydrofuran/water solvent (100 mL) and stirred vigorously for 5 hours at 50 °C. After completion of the reaction, ethyl acetate (250 mL) and 1N hydrochloric acid (50 mL) were added to separate the organic and aqueous layers. The organic layer was washed with water (3 x 50 mL) and subsequently extracted with 0.5 M sodium carbonate solution (10 x 50 mL). The basic aqueous layer was combined and acidified by slow addition of concentrated hydrochloric acid under stirring until the carboxylic acid product precipitated. The solid product was collected by filtration and dried under high vacuum overnight to give 4.93 g (91% yield) of 3-bromo-4-fluorobenzoic acid. A portion of the solid carboxylic acid was dissolved in chloroform (30 mL) and concentrated sulfuric acid was added. A reflux condenser was installed and the reaction mixture was heated to 55 °C. Sodium azide (2.36 g, 36.45 mmol) was added in three batches over 1 h. After 4 h, concentrated sulfuric acid (10 mL) and sodium azide (1 g) were made up and stirring was continued at 55 °C for 16 h. The reaction was completed with the addition of sodium azide (1 g). Upon completion of the reaction, the mixture was transferred to a large cooling flask and 5N sodium hydroxide solution was slowly added to neutralize the sulfuric acid. The pH of the solution was adjusted to 8 and the aqueous phase was extracted with dichloromethane (5 x 30 mL). The organic phases were combined, dried with anhydrous sodium sulfate and concentrated in vacuum to give a dark brown oil (2.2 g, 95% yield), which solidified to a solid on standing. The product was characterized by 1H-NMR (CDCl3): δ 6.94 (t, J=8.4 Hz, 1H), 6.88 (dd, J=2.8,5.6 Hz, 1H), 6.58 (m, 1H), 3.62 (s, 2H).
References
[1] Tetrahedron Letters, 2007, vol. 48, # 50, p. 8918 - 8921
[2] Patent: WO2003/99805, 2003, A1. Location in patent: Page 434
[3] Journal of Fluorine Chemistry, 2000, vol. 105, # 1, p. 107 - 109
[4] Patent: WO2004/18414, 2004, A2. Location in patent: Page 57
[5] Patent: WO2004/18414, 2004, A2. Location in patent: Page 75-76
3-Bromo-4-fluorobenzoic acid Preparation Products And Raw materials
Raw materials
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View Lastest Price from 3-Bromo-4-fluorobenzoic acid manufacturers
- Product
- 3-Bromo-4-fluorobenzoic acid 1007-16-5
- Price
- US $110.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 20 tons
- Release date
- 2019-12-24
- Product
- 3-Bromo-4-fluorobenzoic acid 1007-16-5
- Price
- US $0.10/KG
- Min. Order
- 0.1KG
- Purity
- 98%
- Supply Ability
- 200TONS
- Release date
- 2019-12-24
- Product
- 3-Bromo-4-fluorobenzoic Acid 1007-16-5
- Price
- US $280.00/Kg
- Min. Order
- 0.100Kg
- Purity
- 98
- Supply Ability
- 5000 Kg
- Release date
- 2024-11-18