Cas no 826995-52-2 (Benzo[b]thiophene-2-carboxylic acid, 5-bromo-3-(trifluoromethyl)-)
Benzo[b]thiophene-2-carboxylic acid, 5-bromo-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzo[b]thiophene-2-carboxylic acid, 5-bromo-3-(trifluoromethyl)-
- 5-bromo-3-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid
- 5-Bromo-3-trifluoromethylbenzo[b]thiophene-2-carboxylic acid
- MFCD23115255
- 826995-52-2
- 5-Bromo-3-trifluoromethyl-benzo[b]thiophene-2-carboxylic acid
- DTXSID40837231
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- MDL: MFCD23115255
- Inchi: 1S/C10H4BrF3O2S/c11-4-1-2-6-5(3-4)7(10(12,13)14)8(17-6)9(15)16/h1-3H,(H,15,16)
- InChI Key: SGKJYBHVYICJTJ-UHFFFAOYSA-N
- SMILES: BrC1C=CC2=C(C=1)C(C(F)(F)F)=C(C(=O)O)S2
Computed Properties
- Exact Mass: 323.90675g/mol
- Monoisotopic Mass: 323.90675g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 323
- 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: 4.4
- Topological Polar Surface Area: 65.5?2
Benzo[b]thiophene-2-carboxylic acid, 5-bromo-3-(trifluoromethyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 161143-1g |
5-Bromo-3-trifluoromethylbenzo[b]thiophene-2-carboxylic acid, 95%+ |
826995-52-2 | 95% | 1g |
$728.00 | 2023-09-05 | |
| abcr | AB470194-1 g |
5-Bromo-3-trifluoromethyl-benzo[b]thiophene-2-carboxylic acid; . |
826995-52-2 | 1g |
€551.00 | 2023-04-21 | ||
| abcr | AB470194-1g |
5-Bromo-3-trifluoromethyl-benzo[b]thiophene-2-carboxylic acid; . |
826995-52-2 | 1g |
€551.00 | 2025-04-16 | ||
| abcr | AB470194-5g |
5-Bromo-3-trifluoromethyl-benzo[b]thiophene-2-carboxylic acid; . |
826995-52-2 | 5g |
€1746.20 | 2025-04-16 | ||
| abcr | AB470194-5 g |
5-Bromo-3-trifluoromethyl-benzo[b]thiophene-2-carboxylic acid; . |
826995-52-2 | 5g |
€1,746.20 | 2023-04-21 |
Benzo[b]thiophene-2-carboxylic acid, 5-bromo-3-(trifluoromethyl)- Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
Additional information on Benzo[b]thiophene-2-carboxylic acid, 5-bromo-3-(trifluoromethyl)-
Comprehensive Overview of Benzo[b]thiophene-2-carboxylic acid, 5-bromo-3-(trifluoromethyl)- (CAS No. 826995-52-2)
Benzo[b]thiophene-2-carboxylic acid, 5-bromo-3-(trifluoromethyl)- is a specialized organic compound with significant applications in pharmaceutical and material science research. Its unique structural features, including the 5-bromo and 3-(trifluoromethyl) substituents, make it a valuable intermediate in the synthesis of bioactive molecules. The compound's CAS number, 826995-52-2, ensures precise identification in chemical databases and regulatory documentation.
In recent years, the demand for trifluoromethylated compounds has surged due to their enhanced metabolic stability and lipophilicity, which are critical in drug design. Researchers frequently search for "5-bromo-3-(trifluoromethyl)benzo[b]thiophene derivatives" or "CAS 826995-52-2 applications" to explore its role in developing kinase inhibitors or antimicrobial agents. This compound's versatility aligns with trending topics like "green chemistry" and "sustainable synthesis," as scientists seek eco-friendly methods to incorporate halogenated motifs.
The benzo[b]thiophene core is a privileged scaffold in medicinal chemistry, often associated with antitumor and anti-inflammatory activities. Users searching for "benzo[b]thiophene-2-carboxylic acid uses" or "how to synthesize 5-bromo-3-(trifluoromethyl) derivatives" will find this compound pivotal for fragment-based drug discovery. Its electron-withdrawing groups (e.g., Br and CF3) also make it a candidate for optoelectronic materials, linking it to queries like "organic semiconductors" and "OLED materials."
Analytical techniques such as NMR, HPLC, and mass spectrometry are essential for characterizing CAS 826995-52-2. Laboratories often inquire about "purity standards for bromo-trifluoromethyl compounds" or "solubility of benzo[b]thiophene derivatives," highlighting the need for detailed technical data. The compound's stability under various pH conditions is another frequent search topic, especially for formulation scientists.
From a regulatory perspective, Benzo[b]thiophene-2-carboxylic acid, 5-bromo-3-(trifluoromethyl)- is not classified as hazardous under major chemical inventories, but proper handling protocols are recommended. Searches like "safety data sheet for CAS 826995-52-2" reflect user concerns about workplace safety. Its non-toxic profile at standard concentrations makes it suitable for academic and industrial labs focusing on "high-throughput screening" or "catalysis research."
In summary, 826995-52-2 represents a bridge between traditional heterocyclic chemistry and modern applications. Its relevance to "drug discovery," "material science," and "methodology development" ensures sustained interest. Future research may explore its potential in "bioconjugation" or "metal-organic frameworks," further expanding its utility across disciplines.
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