Cas no 53896-49-4 (Pyridazine-3-carbonitrile)

Pyridazine-3-carbonitrile is a heterocyclic organic compound featuring a pyridazine ring substituted with a cyano group at the 3-position. This structure imparts versatility as a key intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of nitrogen-containing heterocycles. Its electron-deficient pyridazine core enables participation in nucleophilic substitution and cyclization reactions, making it valuable for constructing complex molecular frameworks. The nitrile group offers additional reactivity, allowing further functionalization into amides, acids, or tetrazoles. High purity grades ensure consistent performance in research and industrial applications. Suitable for use under controlled conditions, it is handled with standard laboratory safety protocols due to its potential toxicity.
Pyridazine-3-carbonitrile structure
Pyridazine-3-carbonitrile structure
Product Name:Pyridazine-3-carbonitrile
CAS No:53896-49-4
MF:C5H3N3
MW:105.097419977188
MDL:MFCD09881239
CID:356107
PubChem ID:13642940
Update Time:2025-11-06

Pyridazine-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Cyanopyridazine
    • 3-Pyridazinecarbonitrile
    • pyridazine-3-carbonitrile
    • 3-Cyano-1,2-diazine
    • PJESVVYWPFAJCS-UHFFFAOYSA-N
    • BCP22397
    • STL555332
    • RW2864
    • 7702AB
    • BBL101536
    • RP18851
    • PB19049
    • ST1130933
    • AB0049053
    • AM20100324
    • A829816
    • Z2787257372
    • AC-25543
    • J-512365
    • DTXSID60545720
    • EN300-113351
    • CS-0008615
    • SY030491
    • Z1198236174
    • 53896-49-4
    • MFCD09881239
    • FT-0682924
    • Methyl2,5-dichloronicotinate
    • Pyridazine-3-carbonitrile, 97%
    • PS-9304
    • SCHEMBL150125
    • AKOS005259479
    • DB-030304
    • Pyridazine-3-carbonitrile
    • MDL: MFCD09881239
    • Inchi: 1S/C5H3N3/c6-4-5-2-1-3-7-8-5/h1-3H
    • InChI Key: PJESVVYWPFAJCS-UHFFFAOYSA-N
    • SMILES: N1C(C#N)=CC=CN=1

Computed Properties

  • Exact Mass: 105.03300
  • Monoisotopic Mass: 105.032697108g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 112
  • 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: 49.6
  • XLogP3: -0.1

Experimental Properties

  • Melting Point: 43-48?°C
  • Flash Point: Degrees Fahrenheit:>230°F
    Degrees Celsius:>110°C
  • PSA: 49.57000
  • LogP: 0.34828

Pyridazine-3-carbonitrile Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn
  • HazardClass:6.1

Pyridazine-3-carbonitrile Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    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%

Pyridazine-3-carbonitrile Pricemore >>

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Pyridazine-3-carbonitrile Suppliers

Suzhou Senfeida Chemical Co., Ltd
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Audited Supplier Audited Supplier
(CAS:53896-49-4)pyridazine-3-carbonitrile
Order Number:sfd7233
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally

Additional information on Pyridazine-3-carbonitrile

Pyridazine-3-carbonitrile (CAS No. 53896-49-4): A Versatile Intermediate in Modern Chemical Synthesis

Pyridazine-3-carbonitrile, a compound with the chemical formula C?H?N? and the CAS number 53896-49-4, has emerged as a critical intermediate in the field of organic synthesis and pharmaceutical development. This heterocyclic compound, featuring a six-membered ring with two nitrogen atoms at positions 1 and 4, and a nitrile group at position 3, exhibits unique chemical properties that make it invaluable for constructing complex molecular architectures.

The structural motif of Pyridazine-3-carbonitrile (Pyridazine-3-carbonitrile) provides a rich platform for functionalization, enabling chemists to access a wide array of derivatives with tailored biological activities. The nitrile group, in particular, serves as a versatile handle for further transformations, including hydrolysis to carboxylic acids, reduction to amides, or condensation reactions to form cyclic compounds. These transformations are fundamental in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals.

In recent years, Pyridazine-3-carbonitrile has garnered significant attention in the pharmaceutical industry due to its role as a precursor in the development of novel therapeutic agents. The compound's ability to serve as a scaffold for drug discovery has been leveraged in the design of molecules targeting various diseases. For instance, derivatives of Pyridazine-3-carbonitrile have shown promise in inhibiting enzymes associated with inflammatory responses and metabolic disorders. The structural flexibility offered by this heterocycle allows for the optimization of pharmacokinetic and pharmacodynamic properties, making it an attractive building block for medicinal chemists.

One of the most compelling aspects of Pyridazine-3-carbonitrile is its utility in cross-coupling reactions, which are pivotal in modern synthetic chemistry. The nitrile group can participate in palladium-catalyzed reactions such as Suzuki-Miyaura coupling, Heck reaction, and Buchwald-Hartwig amination. These reactions enable the introduction of aryl, vinyl, and amino groups into the molecule, expanding its structural diversity. Such modifications are essential for fine-tuning the biological activity of drug candidates and developing compounds with improved efficacy and reduced side effects.

The synthesis of Pyridazine-3-carbonitrile (Pyridazine-3-carbonitrile) typically involves multi-step processes that require careful optimization to ensure high yield and purity. Common synthetic routes include cyclization reactions of hydrazine derivatives with nitriles or carbonyl compounds under controlled conditions. Advances in catalytic systems have enabled more efficient and sustainable methods for its preparation, aligning with the growing emphasis on green chemistry principles. These innovations not only improve the practicality of producing Pyridazine-3-carbonitrile but also contribute to reducing the environmental impact of its synthesis.

In academic research, Pyridazine-3-carbonitrile has been employed as a model compound to study electronic properties and reactivity patterns of heterocyclic systems. Its conjugated system and electron-withdrawing nitrile group make it an interesting candidate for exploring charge transfer processes and photochemical reactions. Such studies contribute to fundamental understanding in chemistry and may inspire new applications beyond traditional pharmaceuticals.

The role of computational chemistry in designing derivatives of Pyridazine-3-carbonitrile cannot be overstated. Molecular modeling techniques allow researchers to predict the behavior of this compound and its derivatives before conducting experimental work. This approach accelerates drug discovery pipelines by identifying promising candidates with optimal properties based on their electronic structure and molecular interactions. The integration of computational methods with experimental validation has become standard practice in modern medicinal chemistry.

As interest in bioactive heterocycles continues to grow, Pyridazine-3-carbonitrile remains at the forefront of chemical innovation. Its unique structural features offer unparalleled opportunities for designing molecules with specific biological functions. Whether used as a starting material or an intermediate, this compound exemplifies the power of heterocyclic chemistry in addressing complex challenges in medicine and industry.

The future prospects for Pyridazine-3-carbonitrile (Pyridazine-3-carbonitrile) are bright, with ongoing research exploring new synthetic pathways and applications. The continued development of this versatile intermediate will undoubtedly contribute to advancements across multiple scientific disciplines, reinforcing its importance as a cornerstone of modern chemical synthesis.

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Suzhou Senfeida Chemical Co., Ltd
(CAS:53896-49-4)pyridazine-3-carbonitrile
sfd7233
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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