Cas no 33089-16-6 (4-Chloro-2-phenylpyrimidine-5-carbonitrile)

4-Chloro-2-phenylpyrimidine-5-carbonitrile is a versatile heterocyclic compound featuring a pyrimidine core substituted with chloro, phenyl, and cyano functional groups. Its structural framework makes it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The chloro group enhances reactivity for nucleophilic substitution, while the phenyl and cyano substituents contribute to electronic diversity, enabling applications in cross-coupling reactions and as a building block for more complex heterocycles. This compound exhibits stability under standard conditions and is compatible with a range of synthetic methodologies, making it a practical choice for research and industrial applications requiring precise functionalization.
4-Chloro-2-phenylpyrimidine-5-carbonitrile structure
33089-16-6 structure
Product Name:4-Chloro-2-phenylpyrimidine-5-carbonitrile
CAS No:33089-16-6
MF:C11H6ClN3
MW:215.638440608978
CID:1029889
PubChem ID:824684
Update Time:2025-06-15

4-Chloro-2-phenylpyrimidine-5-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-2-phenylpyrimidine-5-carbonitrile
    • 2-phenyl-4-chloro-5-cyanopyrimidine
    • 2-Phenyl-4-chlor-5-cyanpyrimidin
    • 4-Chlor-2-phenyl-5-pyrimidincarbonitril
    • 4-Chloro-2-phenyl-5-pyrimidincarbonitril
    • 4-chloro-2-phenyl-5-pyrimidinecarbonitrile
    • 4-chloro-2-phenyl-pyrimidine-5-carbonitrile
    • 4-chloro-5-cyano-2-phenylpyrimidine
    • AC1LGO3Q
    • AC-907
    • AK-76295
    • KB-241378
    • DTXSID40356472
    • AC-907/34128028
    • MFCD00835023
    • 5-Pyrimidinecarbonitrile, 4-chloro-2-phenyl-
    • AT39487
    • SB59526
    • 33089-16-6
    • SCHEMBL7260003
    • DB-324087
    • Inchi: 1S/C11H6ClN3/c12-10-9(6-13)7-14-11(15-10)8-4-2-1-3-5-8/h1-5,7H
    • InChI Key: BIHZWXOTSYNHPA-UHFFFAOYSA-N
    • SMILES: ClC1=C(C#N)C=NC(C2C=CC=CC=2)=N1

Computed Properties

  • Exact Mass: 215.0250249g/mol
  • Monoisotopic Mass: 215.0250249g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 254
  • 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: 2.5
  • Topological Polar Surface Area: 49.6?2

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4-Chloro-2-phenylpyrimidine-5-carbonitrile Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:33089-16-6)4-Chloro-2-phenylpyrimidine-5-carbonitrile
Order Number:A1226997
Stock Status:in Stock
Quantity:250mg/1g/5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 19:33
Price ($):151/308/934

Additional information on 4-Chloro-2-phenylpyrimidine-5-carbonitrile

Comprehensive Guide to 4-Chloro-2-phenylpyrimidine-5-carbonitrile (CAS No. 33089-16-6): Properties, Applications, and Industry Insights

4-Chloro-2-phenylpyrimidine-5-carbonitrile (CAS No. 33089-16-6) is a specialized heterocyclic compound widely recognized for its versatile applications in pharmaceuticals, agrochemicals, and material science. This pyrimidine derivative features a chloro-substituted phenyl ring and a nitrile functional group, making it a valuable intermediate in synthetic chemistry. Researchers and manufacturers frequently search for high-purity 4-Chloro-2-phenylpyrimidine-5-carbonitrile suppliers due to its role in developing advanced molecular frameworks.

The compound’s molecular structure (C11H6ClN3) offers unique reactivity, particularly in cross-coupling reactions and nucleophilic substitutions. Its CAS No. 33089-16-6 is a critical identifier for regulatory compliance and procurement. Recent trends highlight growing interest in sustainable synthesis methods for pyrimidine derivatives, aligning with the global push for greener chemistry. Users often inquire about scalable production techniques or alternative routes to 4-Chloro-2-phenylpyrimidine-5-carbonitrile to reduce environmental impact.

In pharmaceutical research, 4-Chloro-2-phenylpyrimidine-5-carbonitrile serves as a precursor for kinase inhibitors and antiviral agents. Its nitrile group enables further functionalization, a topic frequently explored in medicinal chemistry forums. The agrochemical sector leverages this compound to develop novel pesticides with enhanced efficacy, addressing demands for low-residue crop protection solutions. Discussions around structure-activity relationships (SAR) of pyrimidine-based compounds often reference this chemical.

Analytical characterization of CAS No. 33089-16-6 typically involves HPLC, NMR, and mass spectrometry to ensure batch consistency—a priority for QC laboratories. Storage recommendations emphasize protection from moisture and light, with queries about long-term stability of nitrile-containing compounds being common in industry circles. The compound’s melting point (~150–155°C) and solubility profile (organic solvents) are key data points for formulation scientists.

Emerging applications include its use in organic electronic materials, where its conjugated system contributes to charge transport properties. This aligns with searches for pyrimidine-based semiconductors or OLED precursors. Patent analyses reveal increasing filings involving 4-Chloro-2-phenylpyrimidine-5-carbonitrile derivatives, particularly in Asia-Pacific markets. Regulatory updates on REACH compliance for nitrile compounds remain a hot topic among EU importers.

For synthetic chemists, optimizing yield of 4-Chloro-2-phenylpyrimidine-5-carbonitrile via Pd-catalyzed reactions or microwave-assisted synthesis draws significant attention. Educational content on handling halogenated pyrimidines and nitrile safety protocols ranks highly in academic search queries. The compound’s chromatographic separation methods are also frequently discussed in method development circles.

Market intelligence indicates steady demand growth for CAS No. 33089-16-6, driven by pharmaceutical R&D investments. Suppliers differentiating with custom synthesis services or gram-to-kilogram scale-up capabilities gain competitive advantage. Environmental concerns have spurred research into biodegradable pyrimidine analogs, though 4-Chloro-2-phenylpyrimidine-5-carbonitrile remains irreplaceable for many applications due to its balanced reactivity and cost-effectiveness.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:33089-16-6)4-Chloro-2-phenylpyrimidine-5-carbonitrile
A1226997
Purity:99%/99%/99%
Quantity:250mg/1g/5g
Price ($):151/308/934
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