Cas no 760179-81-5 (3-Chloro-6-nitroisoquinoline)
3-Chloro-6-nitroisoquinoline Chemical and Physical Properties
Names and Identifiers
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- Isoquinoline,3-chloro-6-nitro-
- 3-CHLORO-6-NITROISOQUINOLINE
- 760179-81-5
- CS-0331124
- MFCD11044717
- 3-Chloro-6-nitroisoquinoline
-
- MDL: MFCD11044717
- Inchi: 1S/C9H5ClN2O2/c10-9-4-7-3-8(12(13)14)2-1-6(7)5-11-9/h1-5H
- InChI Key: PFBVXFDZOZBWJU-UHFFFAOYSA-N
- SMILES: ClC1=CC2C=C(C=CC=2C=N1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 208.00405
- Monoisotopic Mass: 208.0039551g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 231
- 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: 58.7?2
Experimental Properties
- PSA: 56.03
3-Chloro-6-nitroisoquinoline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A189009477-250mg |
3-Chloro-6-nitroisoquinoline |
760179-81-5 | 95% | 250mg |
$374.71 | 2023-09-01 | |
| Alichem | A189009477-1g |
3-Chloro-6-nitroisoquinoline |
760179-81-5 | 95% | 1g |
$954.81 | 2023-09-01 | |
| TRC | C385580-2.5mg |
3-Chloro-6-nitroisoquinoline |
760179-81-5 | 2.5mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C385580-5mg |
3-Chloro-6-nitroisoquinoline |
760179-81-5 | 5mg |
$ 70.00 | 2022-06-06 | ||
| TRC | C385580-25mg |
3-Chloro-6-nitroisoquinoline |
760179-81-5 | 25mg |
$ 295.00 | 2022-06-06 | ||
| Apollo Scientific | OR300035-250mg |
3-Chloro-6-nitroisoquinoline |
760179-81-5 | 250mg |
£305.00 | 2023-09-01 | ||
| Apollo Scientific | OR300035-500mg |
3-Chloro-6-nitroisoquinoline |
760179-81-5 | 500mg |
£505.00 | 2023-09-01 | ||
| Chemenu | CM110803-1g |
3-chloro-6-nitroisoquinoline |
760179-81-5 | 95% | 1g |
$*** | 2023-05-29 | |
| abcr | AB444274-500 mg |
3-Chloro-6-nitroisoquinoline, min. 95%; . |
760179-81-5 | 500MG |
€480.20 | 2023-07-18 | ||
| Crysdot LLC | CD11061334-1g |
3-Chloro-6-nitroisoquinoline |
760179-81-5 | 95+% | 1g |
$1894 | 2024-07-18 |
3-Chloro-6-nitroisoquinoline Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
Additional information on 3-Chloro-6-nitroisoquinoline
3-Chloro-6-nitroisoquinoline (CAS No. 760179-81-5): A Versatile Building Block in Organic Synthesis
3-Chloro-6-nitroisoquinoline (CAS No. 760179-81-5) is a highly valuable heterocyclic compound that has gained significant attention in modern organic chemistry and pharmaceutical research. As a member of the isoquinoline derivatives family, this compound serves as a crucial intermediate in the synthesis of various biologically active molecules. The presence of both chloro and nitro substituents on the isoquinoline backbone makes it particularly reactive and useful for further chemical transformations.
The growing interest in nitrogen-containing heterocycles like 3-Chloro-6-nitroisoquinoline stems from their widespread applications in medicinal chemistry. Researchers frequently search for information about "isoquinoline synthesis methods" and "nitro-substituted heterocycles applications," reflecting the compound's importance in drug discovery. Recent studies have highlighted its potential as a precursor for developing novel kinase inhibitors and antimicrobial agents, addressing current healthcare challenges such as antibiotic resistance.
From a structural perspective, 3-Chloro-6-nitroisoquinoline features a fused bicyclic system with a benzene ring condensed to a pyridine ring. The electron-withdrawing nitro group at position 6 and the chloro substituent at position 3 create unique electronic properties that influence its reactivity. These characteristics make it an excellent subject for studies on "electrophilic aromatic substitution in heterocycles" and "directed metalation reactions," which are trending topics in organic chemistry forums and academic searches.
In pharmaceutical applications, the 3-Chloro-6-nitroisoquinoline scaffold has shown promise in the development of central nervous system (CNS) drugs. The compound's ability to cross the blood-brain barrier makes it particularly interesting for researchers investigating treatments for neurological disorders. Current search trends reveal growing interest in "isoquinoline-based neuroprotective agents" and "small molecule modulators of neurotransmitter systems," areas where this compound could play a significant role.
The synthesis of 3-Chloro-6-nitroisoquinoline typically involves multi-step processes starting from readily available precursors. Modern synthetic approaches focus on improving yields and reducing environmental impact, aligning with the pharmaceutical industry's shift toward "green chemistry principles." Laboratory professionals often search for "optimized isoquinoline synthesis protocols" and "catalytic methods for heterocycle formation," indicating the demand for efficient production methods.
Analytical characterization of 3-Chloro-6-nitroisoquinoline employs various techniques including NMR spectroscopy, mass spectrometry, and X-ray crystallography. The compound's distinct spectral features make it an excellent example for teaching structure elucidation of aromatic heterocycles, a topic frequently searched by chemistry students and educators. Recent advancements in computational chemistry have also enabled more accurate predictions of its molecular properties and reactivity.
Beyond pharmaceutical applications, 3-Chloro-6-nitroisoquinoline finds use in materials science as a precursor for organic electronic materials. Its conjugated π-system and substituent effects make it interesting for developing organic semiconductors and light-emitting materials. These applications connect to current research trends in "molecular electronics" and "energy storage materials," which are highly searched topics in materials science communities.
The commercial availability of 3-Chloro-6-nitroisoquinoline has increased in recent years to meet growing research demand. Suppliers often highlight its high purity grades and detailed spectroscopic data, addressing the needs of quality-conscious researchers. Market analysis shows rising interest in "specialty heterocyclic compounds" and "custom synthesis services," reflecting the compound's importance in the fine chemicals sector.
Safety considerations for handling 3-Chloro-6-nitroisoquinoline follow standard laboratory protocols for nitroaromatic compounds. Researchers frequently search for "safe handling of reactive heterocycles" and "stability of nitro-substituted compounds," indicating the importance of proper safety information. The compound's stability profile and storage requirements are key factors in its widespread laboratory use.
Future research directions for 3-Chloro-6-nitroisoquinoline include exploring its potential in catalysis and supramolecular chemistry. The compound's ability to coordinate with metals and form molecular complexes makes it interesting for developing new catalytic systems and molecular recognition platforms. These applications align with current scientific interests in "functional materials design" and "molecular machines," which are emerging as hot topics in chemical research.
In conclusion, 3-Chloro-6-nitroisoquinoline (CAS No. 760179-81-5) represents a versatile and valuable compound in modern chemistry. Its unique structural features and reactivity profile continue to inspire research across multiple disciplines, from medicinal chemistry to materials science. As scientific understanding of nitrogen-containing heterocycles deepens, this compound will likely remain an important building block for innovative chemical solutions to contemporary challenges.
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