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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

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5-Bromo-2-chlorobenzoic acid Suppliers

Suzhou Xiaoli Material Technology Co., Ltd.
Tel
0512-87815088 18015562287
Fax
0512-69233866
Email
xmwang@xiaolitech.com
Country
China
ProdList
68
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58
yxinchem
Tel
+86-0710-4323688 +86-18071785587
Fax
15502706050
Email
market@yxinchem.com
Country
China
ProdList
1022
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58
Shandong Vantage Specialty Chemicals Biotechnology Co., Ltd.
Tel
133-96369453 18678026865
Fax
0536-2101172
Email
sdfantai@163.com
Country
China
ProdList
862
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58
Yangzhou modier Electronic Materials Co., Ltd
Tel
0514-82098883; 13761402923
Email
market@modeltemol.com
Country
China
ProdList
906
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58
Jinan Dexinjia Bio&Tech Co., Ltd
Tel
0531-82375886 13001715031
Fax
0531-82375893
Email
3517280075@qq.com
Country
China
ProdList
1312
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58
Qingdao Dexin Chemical Co. LTD
Tel
18560810705
Email
354907727@qq.com
Country
China
ProdList
240
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58
Shandong Yinsheng Pharmaceutical Technology Co., Ltd
Tel
18865947357 18865947357
Email
liguiling16888@163.com
Country
China
ProdList
40
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58
J & K SCIENTIFIC LTD.
Tel
010-82848833 400-666-7788
Fax
86-10-82849933
Email
jkinfo@jkchemical.com
Country
China
ProdList
96815
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76
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
021-61259108 18621169109
Fax
86-21-61259102
Email
market03@meryer.com
Country
China
ProdList
40228
Advantage
62
Liaoning Tianhua Chemical Co., Ltd.
Tel
0418-6530555 2855550
Fax
+86-418-6502885
Country
China
ProdList
338
Advantage
69
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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
WUHAN FORTUNA CHEMICAL CO., LTD
Product
5-Bromo-2-chlorobenzoic acid 21739-92-4
Price
US $0.00-0.00/Kg/Drum
Min. Order
1KG
Purity
99%min
Supply Ability
1000KGS
Release date
2021-11-08
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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