ChemicalBook > CAS DataBase List > 5-Bromo-2-chlorobenzoic acid
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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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
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View Lastest Price from 5-Bromo-2-chlorobenzoic acid manufacturers
HangZhou RunYan Pharma Technology Co.,LTD.
- Product
- 5-Bromo-2-chlorobenzoic acid; 5-BROMO-2-CHLOROBENZOIC ACID FOR SYNTHES 21739-92-4
- Price
- US $0.00-0.00/g
- Min. Order
- 10000g
- Purity
- 98% HPLC
- Supply Ability
- 1000kg
- Release date
- 2024-11-20
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
Hebei Mujin Biotechnology Co.,Ltd
- Product
- 5-Bromo-2-chlorobenzoic acid 21739-92-4
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 50000KG/month
- Release date
- 2023-08-14
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