Cas no 66548-52-5 (3-chloro-6-(4-fluorophenyl)pyridazine)
3-chloro-6-(4-fluorophenyl)pyridazine Chemical and Physical Properties
Names and Identifiers
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- 3-Chloro-6-(4-fluorophenyl)pyridazine
- F1967-0369
- AKOS005207984
- 3-chloro-6-(4-fluoro-phenyl)pyridazine
- 3-chloro-6-(p-fluorophenyl)pyridazine
- EN300-51238
- 6-(p-fluorophenyl)-3-chloropyridazine
- Pyridazine, 3-chloro-6-(4-fluorophenyl)-
- Z432063434
- DTXSID20423656
- 66548-52-5
- SCHEMBL1686039
- MFCD09880368
- G38439
- STL220307
- DB-331230
- AG-664/14116163
- 3-chloro-6-(4-fluorophenyl)pyridazine
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- MDL: MFCD09880368
- Inchi: 1S/C10H6ClFN2/c11-10-6-5-9(13-14-10)7-1-3-8(12)4-2-7/h1-6H
- InChI Key: LYFFDJDAWPESSH-UHFFFAOYSA-N
- SMILES: ClC1=CC=C(C2C=CC(=CC=2)F)N=N1
Computed Properties
- Exact Mass: 208.02000
- Monoisotopic Mass: 208.0203541g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 183
- 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: 2.6
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78000
- LogP: 2.93610
3-chloro-6-(4-fluorophenyl)pyridazine 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%
3-chloro-6-(4-fluorophenyl)pyridazine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029189222-5g |
3-Chloro-6-(4-fluorophenyl)pyridazine |
66548-52-5 | 97% | 5g |
$1349.38 | 2023-09-01 | |
| Alichem | A029189222-10g |
3-Chloro-6-(4-fluorophenyl)pyridazine |
66548-52-5 | 97% | 10g |
$1988.56 | 2023-09-01 | |
| Alichem | A029189222-25g |
3-Chloro-6-(4-fluorophenyl)pyridazine |
66548-52-5 | 97% | 25g |
$3316.50 | 2023-09-01 | |
| TRC | C377163-100mg |
3-chloro-6-(4-fluorophenyl)pyridazine |
66548-52-5 | 100mg |
$ 50.00 | 2022-04-01 | ||
| TRC | C377163-500mg |
3-chloro-6-(4-fluorophenyl)pyridazine |
66548-52-5 | 500mg |
$ 135.00 | 2022-04-01 | ||
| TRC | C377163-1g |
3-chloro-6-(4-fluorophenyl)pyridazine |
66548-52-5 | 1g |
$ 210.00 | 2022-04-01 | ||
| Matrix Scientific | 134737-1g |
3-Chloro-6-(4-fluorophenyl)pyridazine, 95%+ |
66548-52-5 | 95% | 1g |
$144.00 | 2023-09-07 | |
| Matrix Scientific | 134737-2.500g |
3-Chloro-6-(4-fluorophenyl)pyridazine, 95%+ |
66548-52-5 | 95% | 2.500g |
$310.00 | 2023-09-07 | |
| Matrix Scientific | 134737-5g |
3-Chloro-6-(4-fluorophenyl)pyridazine, 95%+ |
66548-52-5 | 95% | 5g |
$470.00 | 2023-09-07 | |
| abcr | AB294679-1g |
3-Chloro-6-(4-fluorophenyl)pyridazine, 95%; . |
66548-52-5 | 95% | 1g |
€542.30 | 2025-04-17 |
3-chloro-6-(4-fluorophenyl)pyridazine Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
Additional information on 3-chloro-6-(4-fluorophenyl)pyridazine
Comprehensive Overview of 3-Chloro-6-(4-fluorophenyl)pyridazine (CAS No. 66548-52-5)
3-Chloro-6-(4-fluorophenyl)pyridazine (CAS No. 66548-52-5) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research. This chloro-fluorophenyl pyridazine derivative is characterized by its unique molecular structure, combining a pyridazine ring with chloro and fluorophenyl substituents. The compound's distinct chemical properties make it a valuable intermediate in the synthesis of various biologically active molecules.
The growing interest in pyridazine-based compounds stems from their diverse pharmacological applications. Recent studies have highlighted the potential of 3-chloro-6-(4-fluorophenyl)pyridazine in drug discovery programs, particularly in the development of kinase inhibitors and antimicrobial agents. The presence of both chlorine and fluorine atoms in its structure contributes to enhanced binding affinity with biological targets, making it a promising scaffold for medicinal chemistry applications.
From a chemical perspective, 66548-52-5 exhibits interesting physicochemical properties. The compound typically appears as a white to off-white crystalline powder with moderate solubility in common organic solvents. Its molecular weight of 223.62 g/mol and precise structural configuration have made it a subject of numerous computational chemistry studies, particularly in molecular docking simulations and QSAR analyses.
The synthesis of 3-chloro-6-(4-fluorophenyl)pyridazine typically involves multi-step organic reactions, with careful control of reaction conditions to ensure high purity. Pharmaceutical manufacturers often seek this compound as a key building block for more complex molecules. The global market for fluorophenyl pyridazine derivatives has shown steady growth, driven by increasing R&D investments in novel therapeutic agents.
Recent advancements in heterocyclic chemistry have further highlighted the importance of compounds like 66548-52-5. Researchers are particularly interested in exploring structure-activity relationships (SAR) of such molecules to develop new treatments for various diseases. The compound's stability under physiological conditions makes it particularly attractive for drug development applications.
Quality control of 3-chloro-6-(4-fluorophenyl)pyridazine is crucial for its applications. Analytical methods such as HPLC, GC-MS, and NMR spectroscopy are routinely employed to verify the compound's purity and identity. The pharmaceutical industry maintains strict specifications for this intermediate, typically requiring purity levels above 98% for most applications.
Environmental and safety considerations for handling pyridazine derivatives have become increasingly important. While 66548-52-5 doesn't fall under hazardous material classifications, proper laboratory practices should always be followed when working with this chemical. Researchers are advised to consult the compound's safety data sheet (SDS) for specific handling instructions.
The future outlook for 3-chloro-6-(4-fluorophenyl)pyridazine appears promising, with several patent applications mentioning its derivatives in recent years. As the demand for novel heterocyclic compounds continues to rise in medicinal chemistry, the significance of this particular chloro-fluorophenyl pyridazine structure is expected to grow correspondingly.
For researchers interested in pyridazine-based drug discovery, 66548-52-5 represents an important reference compound. Its well-characterized properties and established synthesis routes make it a valuable tool for investigating new chemical spaces in pharmaceutical development. The compound continues to be the subject of numerous scientific publications and conference presentations.
In the context of green chemistry initiatives, recent efforts have focused on developing more sustainable synthesis routes for 3-chloro-6-(4-fluorophenyl)pyridazine. These include catalytic methods and solvent optimization strategies that reduce environmental impact while maintaining high yields and purity. Such advancements align with the pharmaceutical industry's growing emphasis on sustainable manufacturing practices.
The analytical characterization of pyridazine derivatives like 66548-52-5 has benefited from modern spectroscopic techniques. Advanced NMR methods, including 2D experiments, have provided detailed structural insights that facilitate the compound's application in sophisticated drug design projects. These analytical capabilities have significantly enhanced researchers' understanding of the molecule's behavior in various chemical environments.
Market analysts predict continued growth in demand for specialized intermediates like 3-chloro-6-(4-fluorophenyl)pyridazine, particularly from emerging pharmaceutical markets. The compound's versatility as a building block for various therapeutic agents positions it well in the global fine chemicals market. Suppliers are increasingly offering custom synthesis and scale-up services to meet diverse research needs.
From a regulatory perspective, 66548-52-5 is generally recognized as a research chemical rather than an active pharmaceutical ingredient. However, researchers should stay informed about evolving regulations concerning fluorinated compounds and heterocyclic intermediates in their respective jurisdictions to ensure compliance with all applicable guidelines.
The scientific community continues to explore new applications for 3-chloro-6-(4-fluorophenyl)pyridazine beyond traditional pharmaceutical uses. Recent studies have investigated its potential in materials science, particularly in the development of specialty polymers and electronic materials. These interdisciplinary applications demonstrate the compound's versatility and ongoing relevance in chemical research.
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