- Design, synthesis, and biological evaluation of novel 3-(thiophen-2-ylthio)pyridine derivatives as potential multitarget anticancer agentsXi, Jian-Jun ; He, Ruo-Yu; Zhang, Jian-Kang; Cai, Zhao-Bin; Zhuang, Rang-Xiao; et al, Archiv der Pharmazie (Weinheim, 2019, 352(8),
Cas no 89640-03-9 (Ethyl 5-chloro-4-nitrothiophene-2-carboxylate)
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 5-chloro-4-nitro-thiophene-2-carboxylic acid ethyl ester
- Ethyl 5-chloro-4-nitrothiophene-2-carboxylate
- 2-Chlor-3-nitro-5-carbethoxy-thiophen
- VJKXMTCBMRGJIE-UHFFFAOYSA-N
- ST2413035
- AX8103557
- AB0025623
- W7113
- 2-Thiophenecarboxylicacid,5-chloro-4-nitro-,ethylester
- 5-Chloro-4-nitrothiophene-2-carboxylic acid ethyl ester
-
- MDL: MFCD12974868
- Inchi: 1S/C7H6ClNO4S/c1-2-13-7(10)5-3-4(9(11)12)6(8)14-5/h3H,2H2,1H3
- InChI Key: VJKXMTCBMRGJIE-UHFFFAOYSA-N
- SMILES: O=C(C1=CC([N+](=O)[O-])=C(Cl)S1)OCC
Computed Properties
- Exact Mass: 234.97100
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 244
- Topological Polar Surface Area: 100
Experimental Properties
- PSA: 100.36000
- LogP: 3.00960
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- Storage Condition:Keep in dark place,Inert atmosphere,2-8°C
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 078796-250mg |
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate |
89640-03-9 | 95% | 250mg |
£11.00 | 2022-03-01 | |
| Fluorochem | 078796-1g |
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate |
89640-03-9 | 95% | 1g |
£25.00 | 2022-03-01 | |
| Fluorochem | 078796-5g |
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate |
89640-03-9 | 95% | 5g |
£92.00 | 2022-03-01 | |
| Fluorochem | 078796-10g |
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate |
89640-03-9 | 95% | 10g |
£175.00 | 2022-03-01 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | E845836-1g |
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate |
89640-03-9 | 95% | 1g |
290.00 | 2021-05-17 | |
| Matrix Scientific | 071996-1g |
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate, 95+% |
89640-03-9 | 95+% | 1g |
$231.00 | 2023-09-05 | |
| Matrix Scientific | 071996-5g |
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate, 95+% |
89640-03-9 | 95+% | 5g |
$700.00 | 2023-09-05 | |
| Matrix Scientific | 071996-10g |
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate, 95+% |
89640-03-9 | 95+% | 10g |
$893.00 | 2023-09-05 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-YW746-5g |
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate |
89640-03-9 | 95+% | 5g |
1000.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-YW746-250mg |
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate |
89640-03-9 | 95+% | 250mg |
163CNY | 2021-05-08 |
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate Production Method
Production Method 1
1.2 Solvents: Water ; 0 °C
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate Raw materials
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate Preparation Products
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
Additional information on Ethyl 5-chloro-4-nitrothiophene-2-carboxylate
Comprehensive Overview of Ethyl 5-chloro-4-nitrothiophene-2-carboxylate (CAS No. 89640-03-9)
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate (CAS No. 89640-03-9) is a specialized organic compound widely utilized in pharmaceutical and agrochemical research. This thiophene derivative is recognized for its unique structural properties, making it a valuable intermediate in synthetic chemistry. Researchers often explore its applications in developing novel heterocyclic compounds, which are pivotal in drug discovery and material science.
The compound's molecular structure features a chloro and nitro substitution on the thiophene ring, enhancing its reactivity and versatility. Its ethyl carboxylate moiety further contributes to its solubility and functionalization potential. These attributes have sparked interest in its use for designing bioactive molecules, particularly in addressing challenges related to antimicrobial resistance and crop protection, two trending topics in scientific communities.
In recent years, the demand for Ethyl 5-chloro-4-nitrothiophene-2-carboxylate has grown due to its role in synthesizing small-molecule inhibitors and polymer precursors. Its relevance in green chemistry initiatives has also been noted, as researchers seek eco-friendly pathways for its production. Questions like "How to optimize the synthesis of Ethyl 5-chloro-4-nitrothiophene-2-carboxylate?" or "What are its applications in medicinal chemistry?" frequently appear in academic searches, reflecting its interdisciplinary importance.
From a technical perspective, the compound's CAS No. 89640-03-9 serves as a critical identifier for regulatory and safety documentation. Its thermal stability and compatibility with common solvents make it suitable for lab-scale and industrial applications. However, handling requires adherence to standard protocols, as with any nitroaromatic compound. Discussions on platforms like ResearchGate often highlight its potential in catalysis and material functionalization, aligning with the broader interest in sustainable chemical processes.
Innovations in crystal engineering have further expanded the utility of Ethyl 5-chloro-4-nitrothiophene-2-carboxylate. Studies focus on its supramolecular interactions to design advanced materials with tailored properties. This aligns with the rising popularity of keywords such as "smart materials" and "molecular design" in scientific literature. The compound's adaptability underscores its role in bridging gaps between organic synthesis and applied sciences.
In summary, Ethyl 5-chloro-4-nitrothiophene-2-carboxylate (CAS No. 89640-03-9) exemplifies the synergy between fundamental research and practical innovation. Its multifaceted applications—from pharmaceutical intermediates to functional materials—make it a compound of enduring relevance. As scientific inquiries evolve, its study will likely remain at the forefront of chemical research, answering pressing questions in healthcare and technology.
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