Cas no 1131632-64-8 (5,7-dibromo-3-iodo-1h-indazole)
5,7-dibromo-3-iodo-1h-indazole Chemical and Physical Properties
Names and Identifiers
-
- 5,7-dibromo-3-iodo-1h-indazole
- 5,7-dibromo-3-iodo-2H-indazole
- MFCD13177075
- CS-0192612
- E90821
- 1131632-64-8
- SCHEMBL14030589
- DTXSID701306189
-
- MDL: MFCD13177075
- Inchi: 1S/C7H3Br2IN2/c8-3-1-4-6(5(9)2-3)11-12-7(4)10/h1-2H,(H,11,12)
- InChI Key: ZIYLUJLIQSNNLD-UHFFFAOYSA-N
- SMILES: IC1=C2C=C(C=C(C2=NN1)Br)Br
Computed Properties
- Exact Mass: 401.76872g/mol
- Monoisotopic Mass: 399.77077g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 181
- 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: 3.6
- Topological Polar Surface Area: 28.7?2
5,7-dibromo-3-iodo-1h-indazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB559965-250 mg |
5,7-Dibromo-3-iodo-1H-indazole; . |
1131632-64-8 | 250MG |
€296.50 | 2023-04-13 | ||
| abcr | AB559965-500 mg |
5,7-Dibromo-3-iodo-1H-indazole; . |
1131632-64-8 | 500MG |
€490.40 | 2023-04-13 | ||
| abcr | AB559965-1 g |
5,7-Dibromo-3-iodo-1H-indazole; . |
1131632-64-8 | 1g |
€666.90 | 2023-04-13 | ||
| abcr | AB559965-250mg |
5,7-Dibromo-3-iodo-1H-indazole; . |
1131632-64-8 | 250mg |
€342.60 | 2025-02-14 | ||
| abcr | AB559965-500mg |
5,7-Dibromo-3-iodo-1H-indazole; . |
1131632-64-8 | 500mg |
€490.40 | 2023-08-31 | ||
| abcr | AB559965-1g |
5,7-Dibromo-3-iodo-1H-indazole; . |
1131632-64-8 | 1g |
€631.80 | 2025-02-14 | ||
| abcr | AB559965-5g |
5,7-Dibromo-3-iodo-1H-indazole; . |
1131632-64-8 | 5g |
€2117.80 | 2025-02-14 | ||
| Ambeed | A1524351-1g |
5,7-Dibromo-3-iodo-1H-indazole |
1131632-64-8 | 98% | 1g |
$582.0 | 2024-04-26 | |
| A2B Chem LLC | AE22005-250mg |
5,7-dibromo-3-iodo-1H-indazole |
1131632-64-8 | 97% | 250mg |
$239.00 | 2024-04-20 | |
| A2B Chem LLC | AE22005-500mg |
5,7-dibromo-3-iodo-1H-indazole |
1131632-64-8 | 97% | 500mg |
$325.00 | 2024-04-20 |
5,7-dibromo-3-iodo-1h-indazole Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
Additional information on 5,7-dibromo-3-iodo-1h-indazole
Comprehensive Overview of 5,7-dibromo-3-iodo-1H-indazole (CAS No. 1131632-64-8): Properties, Applications, and Research Insights
5,7-dibromo-3-iodo-1H-indazole (CAS No. 1131632-64-8) is a halogen-substituted indazole derivative that has garnered significant attention in pharmaceutical and materials science research. This compound belongs to the class of heterocyclic compounds, which are widely studied for their diverse biological activities and potential applications in drug discovery. The presence of multiple halogen atoms (bromine and iodine) in its structure makes it a valuable intermediate for further chemical modifications, particularly in the development of novel small-molecule inhibitors and fluorescence probes.
In recent years, the demand for halogenated indazoles like 5,7-dibromo-3-iodo-1H-indazole has increased due to their role in medicinal chemistry and organic synthesis. Researchers are particularly interested in its potential as a building block for kinase inhibitors, which are crucial in targeted cancer therapies. The compound's unique electronic properties, attributed to the heavy halogens, also make it a candidate for optoelectronic materials, aligning with the growing trend of organic electronics research.
The synthesis of 5,7-dibromo-3-iodo-1H-indazole typically involves multi-step halogenation reactions starting from 1H-indazole precursors. Its molecular weight (exact mass: 436.77 g/mol) and lipophilicity (LogP ~3.5) are critical parameters for drug design, as these properties influence bioavailability and membrane permeability. Recent studies highlight its utility in cross-coupling reactions, such as Suzuki-Miyaura and Sonogashira couplings, which are pivotal in creating complex bioconjugates for therapeutic applications.
From an analytical chemistry perspective, 5,7-dibromo-3-iodo-1H-indazole exhibits distinct spectral signatures. Its NMR spectra (1H and 13C) show characteristic peaks for aromatic protons and carbons, while mass spectrometry confirms the isotopic patterns of bromine and iodine. These features are essential for quality control in industrial-scale production. Furthermore, the compound's crystal structure has been investigated to understand intermolecular interactions, which are relevant for cocrystal engineering—a hot topic in pharmaceutical formulation.
Beyond pharmaceuticals, 5,7-dibromo-3-iodo-1H-indazole is explored in material science for its potential in organic light-emitting diodes (OLEDs) and photovoltaic devices. The heavy-atom effect from iodine enhances spin-orbit coupling, making it a candidate for thermally activated delayed fluorescence (TADF) materials. This aligns with the global push toward sustainable energy solutions, where researchers seek efficient organic semiconductors.
In summary, 5,7-dibromo-3-iodo-1H-indazole (CAS No. 1131632-64-8) is a versatile compound with broad applications in drug discovery, catalysis, and advanced materials. Its unique structural features and reactivity profile position it as a key player in interdisciplinary research, addressing contemporary challenges in healthcare and green technology.
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