Cas no 955400-49-4 (2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid)
2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-Bromophenyl)thiazole-4-carboxylic acid
- 2-(2-bromophenyl)-1,3-thiazole-4-carboxylic acid
- 2-(2-BROMO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID
- Y5692
- DTXSID90655503
- CS-0209869
- SB40299
- AKOS009311708
- 955400-49-4
- SCHEMBL2545992
- 2-(2-Bromophenyl)thiazole-4-carboxylicacid
- BS-24741
- MFCD07376372
- SY359436
- DB-202039
- 2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid
-
- MDL: MFCD07376372
- Inchi: 1S/C10H6BrNO2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)
- InChI Key: ZVYCBOMUAAYYML-UHFFFAOYSA-N
- SMILES: BrC1C=CC=CC=1C1=NC(C(=O)O)=CS1
Computed Properties
- Exact Mass: 282.93000
- Monoisotopic Mass: 282.93026g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 252
- 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: 3.2
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- PSA: 78.43000
- LogP: 3.27080
2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid Customs Data
- HS CODE:2934100090
- Customs Data:
China Customs Code:
2934100090Overview:
2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 90R0296-1g |
2-(2-Bromo-phenyl)-thiazole-4-carboxylic acid |
955400-49-4 | 96% | 1g |
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| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 90R0296-5g |
2-(2-Bromo-phenyl)-thiazole-4-carboxylic acid |
955400-49-4 | 96% | 5g |
33904.74CNY | 2021-05-07 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 90R0296-500mg |
2-(2-Bromo-phenyl)-thiazole-4-carboxylic acid |
955400-49-4 | 96% | 500mg |
4655.75CNY | 2021-05-07 | |
| Alichem | A059003137-25g |
2-(2-Bromophenyl)thiazole-4-carboxylic acid |
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$474.24 | 2023-08-31 | |
| TRC | B698703-100mg |
2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid |
955400-49-4 | 100mg |
$ 64.00 | 2023-04-18 | ||
| TRC | B698703-250mg |
2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid |
955400-49-4 | 250mg |
$ 75.00 | 2023-04-18 | ||
| TRC | B698703-500mg |
2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid |
955400-49-4 | 500mg |
$ 87.00 | 2023-04-18 | ||
| TRC | B698703-1g |
2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid |
955400-49-4 | 1g |
$ 98.00 | 2023-04-18 | ||
| Chemenu | CM189727-25g |
2-(2-Bromo-phenyl)-thiazole-4-carboxylic acid |
955400-49-4 | 95% | 25g |
$426 | 2021-08-05 | |
| Chemenu | CM189727-1g |
2-(2-Bromo-phenyl)-thiazole-4-carboxylic acid |
955400-49-4 | 95% | 1g |
$65 | 2024-07-18 |
2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid Related Literature
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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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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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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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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
Additional information on 2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid
Comprehensive Overview of 2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid (CAS No. 955400-49-4)
2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid (CAS No. 955400-49-4) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This brominated thiazole derivative is characterized by its unique molecular structure, combining a thiazole ring with a 2-bromophenyl substituent and a carboxylic acid functional group. Its structural features make it a valuable intermediate in the synthesis of bioactive molecules, particularly in the development of novel heterocyclic compounds with potential therapeutic applications.
The compound's CAS number 955400-49-4 serves as a unique identifier in chemical databases, facilitating precise tracking in research and industrial applications. Recent studies highlight its role in medicinal chemistry, where it acts as a building block for small molecule inhibitors targeting various enzymes. Researchers are particularly interested in its potential applications in drug discovery, especially for conditions like inflammatory diseases and metabolic disorders, which align with current healthcare trends focusing on personalized medicine.
From a synthetic chemistry perspective, 2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid offers versatile reactivity due to its bromine atom and carboxylic acid group. These functional groups enable diverse cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, which are pivotal in modern organic synthesis. This adaptability makes it a sought-after reagent in high-throughput screening libraries and combinatorial chemistry approaches, addressing the growing demand for efficient drug development pipelines.
In the context of green chemistry advancements, researchers are exploring eco-friendly synthetic routes for this compound. Questions like "How to optimize the yield of 2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid?" or "What are alternative solvents for its synthesis?" reflect current industry priorities. The compound's structure-activity relationships (SAR) are also under investigation, particularly how modifications affect its bioavailability and target binding affinity – key considerations in preclinical development.
The analytical characterization of CAS 955400-49-4 typically involves advanced techniques like NMR spectroscopy, HPLC purity analysis, and mass spectrometry. These methods ensure batch-to-batch consistency, crucial for pharmaceutical intermediates. Recent publications discuss its crystal structure and hydrogen bonding patterns, providing insights for computational chemistry models – a hot topic in AI-driven drug design platforms that leverage machine learning for molecular optimization.
Industrial applications of this thiazole carboxylic acid derivative extend to material science, where its conjugated system shows potential in organic electronics. With the rise of flexible electronics and OLED technologies, researchers are examining its photophysical properties for possible use in functional materials. This multidisciplinary relevance makes 2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid a compound of interest across scientific domains, from life sciences to advanced materials engineering.
Storage and handling recommendations for this compound emphasize standard laboratory safety protocols, with particular attention to its light-sensitive nature. Proper chemical storage conditions (typically under inert atmosphere at low temperatures) maintain its stability – a frequent query among laboratory technicians. The compound's shelf life and degradation products are subjects of ongoing stability studies, important for quality control in manufacturing processes.
Emerging research directions include exploring the biological activity of this compound's derivatives against neglected tropical diseases, responding to global health priorities. Its molecular docking potential with various protein targets is being computationally modeled, bridging cheminformatics and experimental pharmacology. As the scientific community increasingly focuses on sustainable chemistry, future developments may reveal greener synthetic pathways or biocatalytic production methods for this valuable chemical building block.
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