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 |
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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%.
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 | +8618136148818 | anna.ran@nordicabio.com | China | 298 | 58 |
Shanghai Yongzeng Technology Co.,Ltd | +86-021-65281118 +86-13818947575 | sales@yongzchem.com | China | 133 | 58 |
Hebei Mojin Biotechnology Co., Ltd | +86 13288715578 +8613288715578 | sales@hbmojin.com | China | 12446 | 58 |
Hebei Yanxi Chemical Co., Ltd. | +8617531190177 | peter@yan-xi.com | China | 5873 | 58 |
Hebei Chuanghai Biotechnology Co,.LTD | +86-13131129325 | sales1@chuanghaibio.com | China | 5882 | 58 |
Changzhou Rokechem Technology Co., Ltd. | 18758118018 | sales001@rokechem.com | China | 255 | 58 |
Henan Bao Enluo International TradeCo.,LTD | +86-17331933971 +86-17331933971 | deasea125996@gmail.com | China | 2503 | 58 |
Henan Fengda Chemical Co., Ltd | +86-371-86557731 +86-13613820652 | info@fdachem.com | China | 20293 | 58 |
hebei hongtan Biotechnology Co., Ltd | +86-86-1913198-3935 +8617331935328 | sales03@chemcn.cn | China | 973 | 58 |
Capot Chemical Co.,Ltd. | 571-85586718 +8613336195806 | sales@capotchem.com | China | 29798 | 60 |
View Lastest Price from 5-Bromo-2-chlorobenzoic acid manufacturers
Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
---|---|---|---|---|---|---|---|---|
2024-09-23 | 5-Bromo-2-chlorobenzoic acid
21739-92-4
|
US $75.00 / KG | 1KG | 98% | 20 tons | Speranza Chemical Co., Ltd. | ||
2024-09-23 | 5-Bromo-2-chlorobenzoic acid
21739-92-4
|
US $5.00-2.00 / KG | 1KG | 99% | 10000kg | Hebei Chuanghai Biotechnology Co,.LTD | ||
2024-09-23 | 5-Bromo-2-chlorobenzoic acid
21739-92-4
|
US $12.00 / KG | 1KG | 99% | 200mt/year | Jinan Finer Chemical Co., Ltd |
- 5-Bromo-2-chlorobenzoic acid
21739-92-4
- US $75.00 / KG
- 98%
- Speranza Chemical Co., Ltd.
- 5-Bromo-2-chlorobenzoic acid
21739-92-4
- US $5.00-2.00 / KG
- 99%
- Hebei Chuanghai Biotechnology Co,.LTD
- 5-Bromo-2-chlorobenzoic acid
21739-92-4
- US $12.00 / KG
- 99%
- Jinan Finer Chemical Co., Ltd