Cas no 209412-04-4 (6-chloro-a-(4-fluorophenyl)-3-Pyridazineacetonitrile)

6-Chloro-α-(4-fluorophenyl)-3-pyridazineacetonitrile is a versatile pyridazine derivative with significant applications in pharmaceutical and agrochemical research. Its structural features, including the chloro and fluorophenyl substituents, contribute to its reactivity and potential as a key intermediate in synthetic chemistry. The compound’s pyridazine core offers a robust scaffold for further functionalization, making it valuable in the development of biologically active molecules. Its high purity and stability under standard conditions ensure reliable performance in diverse reaction schemes. Researchers favor this compound for its consistent quality and utility in constructing complex heterocyclic systems, particularly in medicinal chemistry and crop protection studies.
6-chloro-a-(4-fluorophenyl)-3-Pyridazineacetonitrile structure
209412-04-4 structure
Product Name:6-chloro-a-(4-fluorophenyl)-3-Pyridazineacetonitrile
CAS No:209412-04-4
MF:C12H7ClFN3
MW:247.655484437943
MDL:MFCD09475511
CID:3162915
PubChem ID:21354171
Update Time:2025-05-25

6-chloro-a-(4-fluorophenyl)-3-Pyridazineacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 6-chloro-a-(4-fluorophenyl)-3-Pyridazineacetonitrile
    • 209412-04-4
    • SCHEMBL12139914
    • 2-(6-Chloropyridazin-3-yl)-2-(4-fluorophenyl)acetonitrile, AldrichCPR
    • MFCD09475511
    • 2-(6-chloropyridazin-3-yl)-2-(4-fluorophenyl)acetonitrile
    • MDL: MFCD09475511
    • Inchi: 1S/C12H7ClFN3/c13-12-6-5-11(16-17-12)10(7-15)8-1-3-9(14)4-2-8/h1-6,10H
    • InChI Key: LNBFRLKKHZPRRS-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C(C#N)C2C=CC(=CC=2)F)N=N1

Computed Properties

  • Exact Mass: 247.0312531Da
  • Monoisotopic Mass: 247.0312531Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 295
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 49.6?2

6-chloro-a-(4-fluorophenyl)-3-Pyridazineacetonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB200908-500 mg
2-(6-Chloropyridazin-3-yl)-2-(4-fluorophenyl)acetonitrile; .
209412-04-4
500 mg
€39.30 2023-07-20
abcr
AB200908-500mg
2-(6-Chloropyridazin-3-yl)-2-(4-fluorophenyl)acetonitrile; .
209412-04-4
500mg
€42.00 2025-02-17

Additional information on 6-chloro-a-(4-fluorophenyl)-3-Pyridazineacetonitrile

6-Chloro-a-(4-Fluorophenyl)-3-Pyridazineacetonitrile: A Comprehensive Overview

6-Chloro-a-(4-Fluorophenyl)-3-Pyridazineacetonitrile, identified by the CAS registry number 209412-04-4, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound belongs to the class of pyridazine derivatives, which are known for their diverse biological activities and potential applications in drug discovery. The structure of this compound features a pyridazine ring system substituted with a chlorine atom at position 6 and a cyano group at position 3, along with a fluorophenyl group attached to position a. These substituents contribute to its unique chemical properties and reactivity.

The synthesis of 6-Chloro-a-(4-Fluorophenyl)-3-Pyridazineacetonitrile typically involves multi-step organic reactions, including nucleophilic substitution, electrophilic substitution, and coupling reactions. Recent advancements in synthetic methodologies have enabled the efficient construction of such complex heterocyclic compounds. Researchers have explored various catalysts and reaction conditions to optimize the yield and purity of this compound, making it more accessible for further studies.

One of the most promising applications of this compound lies in its potential as a pharmacological agent. Pyridazine derivatives are known to exhibit various biological activities, including anti-inflammatory, antitumor, and antimicrobial properties. Recent studies have focused on evaluating the cytotoxic effects of 6-Chloro-a-(4-Fluorophenyl)-3-Pyridazineacetonitrile against cancer cell lines. Preliminary results indicate that this compound demonstrates selective cytotoxicity, suggesting its potential as a lead molecule for anticancer drug development.

In addition to its pharmacological applications, this compound has also been studied for its electronic properties. The presence of electron-withdrawing groups such as chlorine and cyano groups on the pyridazine ring enhances its electron-deficient nature, making it a candidate for use in organic electronics. Researchers have investigated its ability to act as an electron acceptor in donor-acceptor systems, which is crucial for applications in organic photovoltaics and light-emitting diodes (OLEDs). These studies highlight the versatility of 6-Chloro-a-(4-Fluorophenyl)-3-Pyridazineacetonitrile across multiple disciplines.

The structural uniqueness of this compound also makes it an attractive target for mechanistic studies in organic chemistry. The influence of substituents on the reactivity and selectivity of pyridazine derivatives has been extensively studied. For instance, the fluorophenyl group at position a introduces steric hindrance and electronic effects that can modulate the reactivity of the molecule during various transformations. Understanding these effects is essential for designing more efficient synthetic routes and optimizing the properties of related compounds.

Recent advances in computational chemistry have provided deeper insights into the electronic structure and reactivity of 6-Chloro-a-(4-Fluorophenyl)-3-Pyridazineacetonitrile. Quantum mechanical calculations have been employed to predict its frontier molecular orbitals, which are critical for understanding its participation in chemical reactions. These computational studies complement experimental findings and aid in rationalizing observed trends in reactivity.

In conclusion, 6-Chloro-a-(4-Fluorophenyl)-3-Pyridazineacetonitrile, with its unique structure and diverse properties, continues to be a focal point in contemporary chemical research. Its potential applications span across pharmacology, materials science, and organic electronics, making it a valuable compound for further exploration. As research progresses, new insights into its properties and applications are expected to emerge, solidifying its importance in both academic and industrial settings.

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