ChemicalBook > CAS DataBase List > 3-Bromo-4-fluorobenzoic acid

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

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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)

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-37/39-36
WGK Germany: 3
HazardClass: IRRITANT
HS Code: 29163990

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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

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.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 341355
Product name: 3-Bromo-4-fluorobenzoic acid
Purity: 95%
Packaging: 1g
Price: $24
Updated: 2023/06/20

TCI Chemical

Product number: B2133
Product name: 3-Bromo-4-fluorobenzoic Acid
Purity: >96.0%(T)
Packaging: 1g
Price: $27
Updated: 2025/07/31

TCI Chemical

Product number: B2133
Product name: 3-Bromo-4-fluorobenzoic Acid
Purity: >96.0%(T)
Packaging: 5g
Price: $78
Updated: 2025/07/31

TRC

Product number: B683880
Product name: 3-Bromo-4-fluorobenzoic acid
Packaging: 25g
Price: $140
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0021251
Product name: 3-BROMO-4-FLUORO BENZOIC ACID
Purity: 95.00%
Packaging: 25G
Price: $1068.38
Updated: 2021/12/16

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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

Preparation Products

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View Lastest Price from 3-Bromo-4-fluorobenzoic acid manufacturers

Speranza Chemical Co., Ltd.

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

Shaanxi Dideu Medichem Co. Ltd

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

R&D Scientific Inc.

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

1007-16-5, 3-Bromo-4-fluorobenzoic acidRelated Search:

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BUTTPARK 20\01-58

3-BROMO-4-FLUOROBENZOIC ACID

RARECHEM AL BO 0604

3-Bromo-4-fluorobenzoic acid 98%

3-Bromo-4-fluorobenzoicacid98%

3-BROMO-4-FIUOROBENZOIC ACID

Bromo-4-fluoro-benzoic acid

3-Bromo-4-fluorobenzoic Acid &gt

Benzoic acid, 3-bromo-4-fluoro-

Enzalutamide Impurity 36

3-bromo-4-fluorobenzoate

1007-16-5

Organic Building Blocks

Building Blocks

Carbonyl Compounds

Carboxylic Acids

intermediate

Fluorobenzene

Miscellaneous

Acids & Esters

Bromine Compounds

Fluorine Compounds

Carbonyl Compounds

Carboxylic Acids

Benzoic acid series

blocks

Bromides

Carboxes

FluoroCompounds

Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts

Benzoic acid

Fluorin-contained Benzoic acid series