Cas no 1082990-05-3 (5-Fluoro-7-nitro-2-oxyindole)
5-Fluoro-7-nitro-2-oxyindole Chemical and Physical Properties
Names and Identifiers
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- 5-fluoro-1,3-dihydro-7-nitro-2H-Indol-2-one
- 5-fluoro-7-nitro-1,3-dihydro-indol-2-one
- SCHEMBL3139883
- 5-fluoro-7-nitroindolin-2-one
- ZLTABSUQFXHSBW-UHFFFAOYSA-N
- 5-fluoro-7-nitro-1,3-dihydroindol-2-one
- 1082990-05-3
- 5-Fluoro-7-nitro-2-oxyindole
-
- Inchi: 1S/C8H5FN2O3/c9-5-1-4-2-7(12)10-8(4)6(3-5)11(13)14/h1,3H,2H2,(H,10,12)
- InChI Key: ZLTABSUQFXHSBW-UHFFFAOYSA-N
- SMILES: FC1C=C(C2=C(C=1)CC(N2)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 196.02842019g/mol
- Monoisotopic Mass: 196.02842019g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 278
- 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: 0.7
- Topological Polar Surface Area: 74.9?2
Experimental Properties
- Density: 1.5±0.1 g/cm3
- Boiling Point: 386.9±42.0 °C at 760 mmHg
- Flash Point: 187.8±27.9 °C
- Vapor Pressure: 0.0±0.9 mmHg at 25°C
5-Fluoro-7-nitro-2-oxyindole 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)
5-Fluoro-7-nitro-2-oxyindole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | F622003-1mg |
5-Fluoro-7-nitro-2-oxyindole |
1082990-05-3 | 1mg |
$ 50.00 | 2022-06-04 | ||
| TRC | F622003-2mg |
5-Fluoro-7-nitro-2-oxyindole |
1082990-05-3 | 2mg |
$ 65.00 | 2022-06-04 | ||
| TRC | F622003-10mg |
5-Fluoro-7-nitro-2-oxyindole |
1082990-05-3 | 10mg |
$ 160.00 | 2022-06-04 |
5-Fluoro-7-nitro-2-oxyindole Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
Additional information on 5-Fluoro-7-nitro-2-oxyindole
Comprehensive Analysis of 5-Fluoro-7-nitro-2-oxyindole (CAS No. 1082990-05-3): Properties, Applications, and Research Insights
The compound 5-Fluoro-7-nitro-2-oxyindole (CAS No. 1082990-05-3) is a fluorinated nitro-substituted indole derivative that has garnered significant attention in pharmaceutical and agrochemical research. Its unique molecular structure, featuring a fluoro group at the 5-position and a nitro group at the 7-position, makes it a versatile intermediate for synthesizing biologically active molecules. Researchers are increasingly exploring its potential in drug discovery, particularly in the development of kinase inhibitors and antimicrobial agents.
In recent years, the demand for nitroindole derivatives like 5-Fluoro-7-nitro-2-oxyindole has surged due to their role in targeting enzyme modulation and signal transduction pathways. This compound's electron-withdrawing properties, attributed to the nitro and fluoro substituents, enhance its reactivity in cross-coupling reactions, a topic frequently searched in organic chemistry forums. Its applications extend to materials science, where it serves as a precursor for fluorescent probes and photoactive compounds.
One of the most searched questions regarding 5-Fluoro-7-nitro-2-oxyindole revolves around its synthetic routes and purification methods. Optimized protocols often involve palladium-catalyzed reactions or microwave-assisted synthesis to improve yield and selectivity. Environmental concerns have also driven interest in green chemistry approaches for its production, aligning with the global push for sustainable laboratory practices.
The compound's spectroscopic properties, including NMR and IR data, are critical for quality control and are widely discussed in analytical chemistry communities. Its solubility in polar solvents like DMSO and methanol further expands its utility in high-throughput screening assays. Recent studies highlight its potential in cancer research, where it acts as a scaffold for designing targeted therapies against tumorigenic pathways.
From an industrial perspective, 5-Fluoro-7-nitro-2-oxyindole is valued for its cost-effectiveness and scalability. Patent literature reveals its inclusion in proprietary formulations for crop protection, addressing the growing need for novel agrochemicals. Its stability under ambient conditions makes it a reliable candidate for long-term storage and transportation, a key consideration for manufacturers.
Future research directions for CAS No. 1082990-05-3 may focus on its structure-activity relationships (SAR) to refine its therapeutic index. Collaborative efforts between academia and industry are expected to unlock new applications, particularly in neuroscience and infectious disease models. As synthetic methodologies evolve, this compound will likely remain a cornerstone in the design of next-generation bioactive molecules.
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