Cas no 791137-22-9 (3-Bromo-4-chlorobenzamide)
3-Bromo-4-chlorobenzamide Chemical and Physical Properties
Names and Identifiers
-
- 3-Bromo-4-chlorobenzamide
- ACMC-209pgc
- AG-L-24470
- ANW-37258
- CTK5E6463
- MolPort-015-143-209
- SureCN393467
- DTXSID60681819
- 3-bromo-4-chlorobenzamide, AldrichCPR
- SB76903
- CS-0211756
- 791137-22-9
- LRUWZGYYJAZCFH-UHFFFAOYSA-N
- FT-0686985
- AKOS015834285
- SCHEMBL393467
- FS-5093
- MFCD16295084
- DB-366145
-
- MDL: MFCD16295084
- Inchi: 1S/C7H5BrClNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)
- InChI Key: LRUWZGYYJAZCFH-UHFFFAOYSA-N
- SMILES: BrC1=C(C=CC(C(N)=O)=C1)Cl
Computed Properties
- Exact Mass: 232.92400
- Monoisotopic Mass: 232.924
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 165
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 43.1A^2
Experimental Properties
- PSA: 44.08000
- LogP: 3.08560
3-Bromo-4-chlorobenzamide Security Information
- Hazard Category Code: 22
-
Hazardous Material Identification:
3-Bromo-4-chlorobenzamide Customs Data
- HS CODE:2924299090
- Customs Data:
China Customs Code:
2924299090Overview:
2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, packing
Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
3-Bromo-4-chlorobenzamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 080102-1g |
3-Bromo-4-chlorobenzamide |
791137-22-9 | 99% | 1g |
£30.00 | 2022-03-01 | |
| Fluorochem | 080102-5g |
3-Bromo-4-chlorobenzamide |
791137-22-9 | 99% | 5g |
£130.00 | 2022-03-01 | |
| Alichem | A015001661-250mg |
3-Bromo-4-chlorobenzamide |
791137-22-9 | 97% | 250mg |
$470.40 | 2023-09-01 | |
| Alichem | A015001661-500mg |
3-Bromo-4-chlorobenzamide |
791137-22-9 | 97% | 500mg |
$863.90 | 2023-09-01 | |
| Alichem | A015001661-1g |
3-Bromo-4-chlorobenzamide |
791137-22-9 | 97% | 1g |
$1460.20 | 2023-09-01 | |
| Apollo Scientific | OR346689-1g |
3-Bromo-4-chlorobenzamide |
791137-22-9 | 95+% | 1g |
£60.00 | 2023-09-01 | |
| Apollo Scientific | OR346689-5g |
3-Bromo-4-chlorobenzamide |
791137-22-9 | 95+% | 5g |
£120.00 | 2023-09-01 | |
| Apollo Scientific | OR346689-25g |
3-Bromo-4-chlorobenzamide |
791137-22-9 | 95+% | 25g |
£428.00 | 2023-09-01 | |
| abcr | AB272209-1 g |
3-Bromo-4-chlorobenzamide; 95% |
791137-22-9 | 1 g |
€100.50 | 2023-07-20 | ||
| abcr | AB272209-5 g |
3-Bromo-4-chlorobenzamide; 95% |
791137-22-9 | 5 g |
€221.60 | 2023-07-20 |
3-Bromo-4-chlorobenzamide Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
Additional information on 3-Bromo-4-chlorobenzamide
Research Briefing on 3-Bromo-4-chlorobenzamide (CAS: 791137-22-9) in Chemical Biology and Pharmaceutical Applications
3-Bromo-4-chlorobenzamide (CAS: 791137-22-9) is a halogenated benzamide derivative that has recently garnered attention in chemical biology and pharmaceutical research due to its versatile applications in drug discovery and medicinal chemistry. This compound serves as a key intermediate in the synthesis of bioactive molecules, particularly those targeting enzyme inhibition and receptor modulation. Recent studies have explored its potential as a scaffold for developing novel therapeutic agents, leveraging its unique physicochemical properties and reactivity.
In a 2023 study published in the Journal of Medicinal Chemistry, researchers investigated the role of 3-Bromo-4-chlorobenzamide in the design of kinase inhibitors. The study highlighted its utility as a building block for constructing selective inhibitors of tyrosine kinases, which are implicated in various cancers. The compound's bromo and chloro substituents were found to enhance binding affinity through halogen bonding interactions with kinase active sites, offering a strategic advantage in inhibitor design.
Another significant application of 3-Bromo-4-chlorobenzamide was reported in a 2024 ACS Chemical Biology paper, where it was employed as a precursor for synthesizing proteolysis-targeting chimeras (PROTACs). The study demonstrated that the compound's halogen atoms facilitated efficient linker conjugation, enabling the development of bifunctional molecules capable of degrading disease-relevant proteins. This approach holds promise for targeting previously undruggable proteins in neurodegenerative diseases and oncology.
Recent advancements in synthetic methodology have also focused on optimizing the production of 3-Bromo-4-chlorobenzamide. A 2024 Organic Process Research & Development article described a scalable, green chemistry route for its synthesis, reducing reliance on hazardous reagents and improving yield. This innovation addresses supply chain challenges and supports its broader adoption in pharmaceutical manufacturing.
In conclusion, 3-Bromo-4-chlorobenzamide (CAS: 791137-22-9) continues to emerge as a valuable tool in drug discovery, with applications spanning kinase inhibitor design, PROTAC development, and scalable synthesis. Its unique structural features and reactivity profile position it as a critical intermediate for future therapeutic innovations. Ongoing research is expected to further elucidate its potential in addressing unmet medical needs.
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