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
- Molecular Weight:
- 235.46
- MDL Number:
- MFCD00002415
- MOL File:
- 21739-92-4.mol
- MSDS File:
- SDS
| 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) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
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|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-37/39 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29163900 | |||||||||
| NFPA 704 |
|
5-Bromo-2-chlorobenzoic acid price More Price(40)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 175544 | 5-Bromo-2-chlorobenzoic acid 98% | 21739-92-4 | 25g | $18.72 | 2024-03-01 | Buy |
| Sigma-Aldrich | 175544 | 5-Bromo-2-chlorobenzoic acid 98% | 21739-92-4 | 100g | $36.84 | 2024-03-01 | Buy |
| TCI Chemical | B1344 | 5-Bromo-2-chlorobenzoic Acid >98.0%(GC)(T) | 21739-92-4 | 10g | $32 | 2024-03-01 | Buy |
| TCI Chemical | B1344 | 5-Bromo-2-chlorobenzoic Acid >98.0%(GC)(T) | 21739-92-4 | 25g | $78 | 2024-03-01 | Buy |
| Alfa Aesar | A12218 | 5-Bromo-2-chlorobenzoic acid, 98+% | 21739-92-4 | 10g | $39.65 | 2024-03-01 | Buy |
5-Bromo-2-chlorobenzoic acid Chemical Properties,Uses,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
1of3
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Suzhou Nordica Biopharma CO.,LTD | +86-18136148818 +86-18567353071 | 3537297702@qq.com | China | 299 | 58 |
| Hebei Mojin Biotechnology Co., Ltd | +86 13288715578 +8613288715578 | sales@hbmojin.com | China | 12841 | 58 |
| Hebei Yanxi Chemical Co., Ltd. | +8617531190177 | peter@yan-xi.com | China | 5857 | 58 |
| Hebei Chuanghai Biotechnology Co,.LTD | +86-13131129325 | sales1@chuanghaibio.com | China | 5892 | 58 |
| Changzhou Rokechem Technology Co., Ltd. | 18758118018 | sales001@rokechem.com | China | 255 | 58 |
| Hebei Weibang Biotechnology Co., Ltd | +8617732866630 | bess@weibangbio.com | China | 18153 | 58 |
| Henan Bao Enluo International TradeCo.，LTD | +86-17331933971 +86-17331933971 | deasea125996@gmail.com | China | 2472 | 58 |
| Henan Fengda Chemical Co., Ltd | +86-371-86557731 +86-13613820652 | info@fdachem.com | China | 20285 | 58 |
| hebei hongtan Biotechnology Co., Ltd | +86-86-1913198-3935 +8617331935328 | sales03@chemcn.cn | China | 970 | 58 |
| Hebei Zhuanglai Chemical Trading Co Ltd | +86-16264648883 +86-16264648883 | niki@zlchemi.com | China | 1226 | 58 |
View Lastest Price from 5-Bromo-2-chlorobenzoic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
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2024-12-01 | 5-Bromo-2-chlorobenzoic acid; 5-BROMO-2-CHLOROBENZOIC ACID FOR SYNTHES
21739-92-4
|
US $0.00-0.00 / g | 10000g | 98% HPLC | 1000kg | HangZhou RunYan Pharma Technology Co.,LTD. | |
 |
2024-11-29 | 5-Bromo-2-chlorobenzoic acid
21739-92-4
|
US $0.00-0.00 / Kg/Drum | 1KG | 99%min | 1000KGS | WUHAN FORTUNA CHEMICAL CO., LTD | |
 |
2024-11-29 | Dapagliflozin Intermediate/ Empagliflozin Intermediate/ 5-Bromo-2-Chlorobenzoic Acid
21739-92-4
|
US $0.00 / Kg/Bag | 2Kg/Bag | 99% up, High Density | 20 tons | Sinoway Industrial co., ltd. |
-
- 5-Bromo-2-chlorobenzoic acid; 5-BROMO-2-CHLOROBENZOIC ACID FOR SYNTHES
21739-92-4
- US $0.00-0.00 / g
- 98% HPLC
- HangZhou RunYan Pharma Technology Co.,LTD.
-
- 5-Bromo-2-chlorobenzoic acid
21739-92-4
- US $0.00-0.00 / Kg/Drum
- 99%min
- WUHAN FORTUNA CHEMICAL CO., LTD
-
- Dapagliflozin Intermediate/ Empagliflozin Intermediate/ 5-Bromo-2-Chlorobenzoic Acid
21739-92-4
- US $0.00 / Kg/Bag
- 99% up, High Density
- Sinoway Industrial co., ltd.