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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
Last updated:2024-09-05 22:20:32

5-Bromo-2-chlorobenzoic acid Properties

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)  GHS hazard pictograms
GHS07
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
0
2 0

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
Product number Packaging Price Buy
175544 25g $18.72 Buy
175544 100g $36.84 Buy
B1344 10g $32 Buy
B1344 25g $78 Buy
A12218 10g $39.65 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%.

57381-44-9
21739-92-4
Synthesis of 5-Bromo-2-chlorobenzoic acid from 5-Bromo-2-chlorobenzonitrile
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View Lastest Price from 5-Bromo-2-chlorobenzoic acid manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
5-Bromo-2-chlorobenzoic acid pictures 2024-09-20 5-Bromo-2-chlorobenzoic acid
21739-92-4
US $75.00 / KG 1KG 98% 20 tons Speranza Chemical Co., Ltd.
5-Bromo-2-chlorobenzoic acid pictures 2024-09-20 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 pictures 2024-09-20 5-Bromo-2-chlorobenzoic acid
21739-92-4
US $13.00 / KG 1KG 99% 100mt Jinan Finer Chemical Co., Ltd
Benzoic acid, 5-bromo-2-chloro- 5-Bromo-2-chlorobenzoic acid, 98+% 5-BROMO-2-CHLOROBENZOIC ACID 5-Bromo-2-Chlorobenzoic Acid (BCBA) 5-Bromo-2-chlorobenzoic acid ,99% 5-BROMO-2-CHLOROBENZOIC ACID FOR SYNTHES 5 - broMine - 2 - chlorobenzoic acid 5-Bromo-2-chlorobenzoic acid 97+% 5-Bromo 2-Chloro Benzoic Acid CAS NO 21739-92-4 5-bromo-2-chlorobenzoate Benzoic acid, 5-bromo-2-chloro- BCBA 5-Bromo-2-chlorobenzoic Acid > 5-Bromo-2-chlorobenzoicaci 5-Bromo-2-chlorobenzoic acid CAS 21739 92 4 2-chloro 5-bromo bezoic acid 5-Bromo-2-chlorobenzoic(BCBA) 2-CHLORO-5-BROMOBENZOIC ACID BCBA Dapagliflozin Intermediate/ Empagliflozin Intermediate/ 5-Bromo-2-Chlorobenzoic Acid China biggest manufacturer 5-Bromo-2-chlorobenzoic acid 21739-92-4 5-Br-2-CI Benzoic acid Empagliflozin Impurity 182 5-Bromo-2-Chlororbenzoic acid (BCBA) 5-Bromo-2-Chlorobenzoci Acid 5-Bromo-2-ChIoro Benzoic Acid 21739-92-4 1739-92-4 21739-29-4 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 john's