Cas no 518990-32-4 (4-Fluoro-3-iodo-1H-indazole)
4-Fluoro-3-iodo-1H-indazole Chemical and Physical Properties
Names and Identifiers
-
- 4-Fluoro-3-iodo-1H-indazole
- 4-Fluoro-3-iodo (1H)indazole
- 4-fluoro-3-iodo-2H-indazole
- 4-Fluoro-3-iodoindazole
- 1H-Indazole,4-fluoro-3-iodo-
- PYFIFZHAAHFPEC-UHFFFAOYSA-N
- 4-fluoranyl-3-iodanyl-2H-indazole
- PC8397
- RP06349
- WT82124
- FCH1324141
- AB42698
- 1H-INDAZOLE, 4-FLUORO-3-IODO-
- J-515369
- SCHEMBL5952759
- MFCD07781590
- CS-W008907
- SY040581
- A828835
- AKOS015854313
- GS-3078
- 518990-32-4
- AM20040614
- FT-0718423
- DTXSID90625983
- EN300-1137649
- DB-071442
-
- MDL: MFCD07781590
- Inchi: 1S/C7H4FIN2/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H,10,11)
- InChI Key: PYFIFZHAAHFPEC-UHFFFAOYSA-N
- SMILES: IC1=C2C(=CC=CC2=NN1)F
Computed Properties
- Exact Mass: 261.94000
- Monoisotopic Mass: 261.94
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 155
- 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
- Topological Polar Surface Area: 28.7
- XLogP3: 2.3
Experimental Properties
- Density: 2.159
- Melting Point: 180-190°C
- Boiling Point: 361.4°C at 760 mmHg
- Flash Point: 361.415 °C at 760 mmHg
- Refractive Index: 1.751
- PSA: 28.68000
- LogP: 2.30660
4-Fluoro-3-iodo-1H-indazole Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Storage Condition:Keep in dark place,Inert atmosphere,2-8°C
4-Fluoro-3-iodo-1H-indazole Customs Data
- HS CODE:2933990090
- Customs Data:
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
4-Fluoro-3-iodo-1H-indazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-BQ593-1g |
4-Fluoro-3-iodo-1H-indazole |
518990-32-4 | 97% | 1g |
447.0CNY | 2021-08-05 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-BQ593-250mg |
4-Fluoro-3-iodo-1H-indazole |
518990-32-4 | 97% | 250mg |
518CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-BQ593-50mg |
4-Fluoro-3-iodo-1H-indazole |
518990-32-4 | 97% | 50mg |
55.0CNY | 2021-08-05 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-BQ593-5g |
4-Fluoro-3-iodo-1H-indazole |
518990-32-4 | 97% | 5g |
3833CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 45R0644-1g |
4-Fluoro-3-iodo-1H-indazole |
518990-32-4 | 97% | 1g |
3375.21CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 45R0644-5g |
4-Fluoro-3-iodo-1H-indazole |
518990-32-4 | 97% | 5g |
11787.79CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-BQ593-200mg |
4-Fluoro-3-iodo-1H-indazole |
518990-32-4 | 97% | 200mg |
128.0CNY | 2021-08-05 | |
| TRC | F532153-25mg |
4-Fluoro-3-iodo-1h-indazole |
518990-32-4 | 25mg |
$64.00 | 2023-05-18 | ||
| TRC | F532153-50mg |
4-Fluoro-3-iodo-1h-indazole |
518990-32-4 | 50mg |
$75.00 | 2023-05-18 | ||
| TRC | F532153-100mg |
4-Fluoro-3-iodo-1h-indazole |
518990-32-4 | 100mg |
$87.00 | 2023-05-18 |
4-Fluoro-3-iodo-1H-indazole Suppliers
4-Fluoro-3-iodo-1H-indazole Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
Additional information on 4-Fluoro-3-iodo-1H-indazole
Introduction to 4-Fluoro-3-iodo-1H-indazole (CAS No. 518990-32-4)
4-Fluoro-3-iodo-1H-indazole, with the CAS number 518990-32-4, is a versatile compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound belongs to the class of indazoles, which are known for their diverse biological activities and potential therapeutic applications. The presence of both a fluorine and an iodine substituent on the indazole ring system imparts unique chemical and biological properties, making it a valuable intermediate in the synthesis of various bioactive molecules.
The chemical structure of 4-Fluoro-3-iodo-1H-indazole consists of a five-membered indazole ring with a fluorine atom at the 4-position and an iodine atom at the 3-position. These substituents play crucial roles in modulating the compound's reactivity and biological activity. The fluorine atom, being highly electronegative, can influence the electronic properties of the molecule, while the iodine atom, being a bulky and polarizable group, can affect steric interactions and solubility characteristics.
In recent years, 4-Fluoro-3-iodo-1H-indazole has been extensively studied for its potential as a building block in the development of novel drugs. One notable application is in the synthesis of inhibitors for various enzymes and receptors. For instance, research has shown that derivatives of this compound exhibit potent inhibitory activity against specific kinases, which are key targets in cancer therapy. The ability to fine-tune the substituents on the indazole ring allows for the optimization of these inhibitors to achieve high selectivity and potency.
Beyond its use in enzyme inhibition, 4-Fluoro-3-iodo-1H-indazole has also been explored for its potential in imaging applications. The iodine substituent makes it suitable for radiolabeling with isotopes such as iodine-123 or iodine-125, which are commonly used in nuclear medicine for diagnostic imaging. This property opens up opportunities for developing new radiotracers that can be used to visualize specific biological processes or disease states.
The synthesis of 4-Fluoro-3-iodo-1H-indazole typically involves multistep reactions starting from readily available starting materials. One common approach is to first form the indazole core through a cyclization reaction, followed by selective substitution with fluorine and iodine atoms. Advances in synthetic methodologies have led to more efficient and scalable routes for producing this compound, making it more accessible for large-scale research and development.
In addition to its synthetic utility, 4-Fluoro-3-iodo-1H-indazole has been evaluated for its pharmacological properties. Preclinical studies have demonstrated that this compound exhibits good solubility and stability, which are essential characteristics for drug candidates. Furthermore, it has shown promising activity in various biological assays, including cell-based assays and animal models of disease.
The safety profile of 4-Fluoro-3-iodo-1H-indazole is another important consideration. Toxicological studies have indicated that this compound is generally well-tolerated at therapeutic concentrations. However, as with any new chemical entity, comprehensive safety assessments are necessary to ensure its safe use in clinical settings.
In conclusion, 4-Fluoro-3-iodo-1H-indazole (CAS No. 518990-32-4) is a promising compound with a wide range of potential applications in medicinal chemistry and pharmaceutical research. Its unique chemical structure and versatile reactivity make it an attractive candidate for developing novel drugs and imaging agents. Ongoing research continues to uncover new possibilities for this compound, highlighting its significance in advancing our understanding and treatment of various diseases.
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