5-Bromo-2-chlorobenzoic acid

Product Name: 5-Bromo-2-chlorobenzoic acid
CAS No.: 21739-92-4
Chemical Name: 5-Bromo-2-chlorobenzoic acid
Synonyms: BCBA;2-CHLORO-5-BROMOBENZOIC ACID;5-Br-2-CI Benzoic acid;5-bromo-2-chlorobenzoate;5-Bromo-2-chlorobenzoicaci;Empagliflozin Impurity 182;5-BROMO-2-CHLOROBENZOIC ACID;2-chloro 5-bromo bezoic acid;5-Bromo-2-Chlorobenzoci Acid;5-Bromo-2-chlorobenzoic(BCBA)
CBNumber: CB9669275
Molecular Formula: C7H4BrClO2
Formula Weight: 235.46
MOL File: 21739-92-4.mol

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5-Bromo-2-chlorobenzoic acid Property

Melting point:: 154-156 °C (lit.)
Boiling point:: 324.5±27.0 °C(Predicted)
Density: 1.7312 (rough estimate)
refractive index: 1.5590 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: 2.63g/l
pka: 2.49±0.25(Predicted)
form: Solid
color: Off white colored powder
Water Solubility: Soluble in water 2.63 g/L @20°C.
BRN: 2691432
InChI: InChI=1S/C7H4BrClO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey: FGERXQWKKIVFQG-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(Br)=CC=C1Cl
CAS DataBase Reference: 21739-92-4(CAS DataBase Reference)
NIST Chemistry Reference: 5-Bromo-2-chlorobenzoic acid(21739-92-4)
EPA Substance Registry System: Benzoic acid, 5-bromo-2-chloro- (21739-92-4)

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-37/39
WGK Germany: 3
HazardClass: IRRITANT
HS Code: 29163900

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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: 175544
Product name: 5-Bromo-2-chlorobenzoic acid
Purity: 98%
Packaging: 25g
Price: $18.72
Updated: 2024/03/01

Sigma-Aldrich

Product number: 175544
Product name: 5-Bromo-2-chlorobenzoic acid
Purity: 98%
Packaging: 100g
Price: $36.84
Updated: 2024/03/01

TCI Chemical

Product number: B1344
Product name: 5-Bromo-2-chlorobenzoic Acid
Purity: >98.0%(GC)(T)
Packaging: 10g
Price: $32
Updated: 2024/03/01

TCI Chemical

Product number: B1344
Product name: 5-Bromo-2-chlorobenzoic Acid
Purity: >98.0%(GC)(T)
Packaging: 25g
Price: $78
Updated: 2024/03/01

Alfa Aesar

Product number: A12218
Product name: 5-Bromo-2-chlorobenzoic acid, 98+%
Packaging: 10g
Price: $39.65
Updated: 2024/03/01

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5-Bromo-2-chlorobenzoic acid Chemical Properties,Usage,Production

Description

5-Bromo-2-chlorobenzoic acid (BCBA) is an organic reagent that can be used in electroinduced dehalogenation reactions. Ag/Cu electrodes exhibit high electrocatalytic activity in the dehalogenation reaction of BCBA. The process is characterised by a sequence of halide excretion and hydrogen addition. Since the bond dissociation energy value of C-Br bond is smaller than that of C-Cl bond, Br-w is more easily released from the benzene ring. As C-Br breaks, BCBA gains electrons and hydrogen to form the intermediate 2-chlorobenzoate. C-Cl then breaks in the same way to give the final product benzoate.

Chemical Properties

white to light yellow crystal powder

Uses

5-Bromo-2-chlorobenzoic acid was used to evaluate the homogeneity of organic powder. It can be used to produce 2-chloro-5-deuteriobenzoic acid.

Synthesis

4.7g (0.03 mol) of 2-chlorobenzoic acid, 40mL of concentrated sulfuric acid and 0.936g (0.012 mol) of sodium sulfide are sequentially added into a 250mL four-mouth bottle, stirred for 20 minutes at 30 ℃ until the solution is clear, then 5.334g N-bromosuccinimide (0.03 mol) is added, the reaction is continued for 10 minutes at 30 ℃, and then the solution is slowly poured into 80mL ice water bath for crystallization to obtain a crude product of the 5-bromo-2-chlorobenzoic acid. Add the filter cake into a 250mL four-mouth bottle, add 24mL methanol and 36mL water, heat to 60 ℃, naturally cool, and stir for crystallization. Filtration, washing with 20mL of 40% volume fraction aqueous methanol, and drying at 55 ℃ for 6 hours gave 6.001g of a white solid, yield: 85.0%.

References

[1] Fen Wang . “The Electroreductive Dehalogenation Reaction of 5-Bromo-2-chlorobenzoic Acid on Dendritic Ag/Cu.” International Journal of Electrochemical Science 10 6 (2015): Pages 5101-5111.

5-Bromo-2-chlorobenzoic acid Preparation Products And Raw materials

Raw materials

Preparation Products

5'-BROMO-2'-CHLOROACETOPHENONE

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View Lastest Price from 5-Bromo-2-chlorobenzoic acid manufacturers

hebei hongtan Biotechnology Co., Ltd

Product: 5-Bromo-2-chlorobenzoic acid 21739-92-4
Price: US $20.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 2000kg
Release date: 2024-05-14

Speranza Chemical Co., Ltd.

Product: 5-Bromo-2-chlorobenzoic acid 21739-92-4
Price: US $75.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 20 tons
Release date: 2019-12-24

Sinoway Industrial co., ltd.

Product: Dapagliflozin Intermediate/ Empagliflozin Intermediate/ 5-Bromo-2-Chlorobenzoic Acid 21739-92-4
Price: US $0.00/Kg/Bag
Min. Order: 2Kg/Bag
Purity: 99% up, High Density
Supply Ability: 20 tons
Release date: 2023-05-10

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C7H3BrClO2

Building Blocks

Carboxylic Acids

Carbonyl Compounds

C7

Organic Building Blocks

Building Blocks

Carbonyl Compounds

Carboxylic Acids

Chemical Synthesis

Organic Building Blocks

C7

Carbonyl Compounds

Carboxylic Acids

Benzoic acid series

Organic acids

Miscellaneous

Acids & Esters

Bromine Compounds

Chlorine Compounds

blocks

Bromides

Carboxes

Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts

Benzoic acid

bc0001

21739-92-4

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