Cas no 1246632-77-8 (4-Pyrimidinecarbonyl chloride, 5-chloro-)

4-Pyrimidinecarbonyl chloride, 5-chloro- structure
1246632-77-8 structure
Product Name:4-Pyrimidinecarbonyl chloride, 5-chloro-
CAS No:1246632-77-8
MF:C5H2Cl2N2O
MW:176.988178730011
CID:4826553
Update Time:2025-11-01

4-Pyrimidinecarbonyl chloride, 5-chloro- Chemical and Physical Properties

Names and Identifiers

    • 5-chloropyrimidine-4-carbonyl chloride
    • 4-Pyrimidinecarbonyl chloride, 5-chloro-
    • Inchi: 1S/C5H2Cl2N2O/c6-3-1-8-2-9-4(3)5(7)10/h1-2H
    • InChI Key: OXTXUEYJYQQHHO-UHFFFAOYSA-N
    • SMILES: ClC1=CN=CN=C1C(=O)Cl

Computed Properties

  • Exact Mass: 175.954
  • Monoisotopic Mass: 175.954
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 142
  • 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: 1.7
  • Topological Polar Surface Area: 42.8

4-Pyrimidinecarbonyl chloride, 5-chloro- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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5-Chloropyrimidine-4-carbonyl chloride
1246632-77-8 98%
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Alichem
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5-Chloropyrimidine-4-carbonyl chloride
1246632-77-8 98%
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5-Chloropyrimidine-4-carbonyl chloride
1246632-77-8 98%
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Additional information on 4-Pyrimidinecarbonyl chloride, 5-chloro-

Comprehensive Overview of 4-Pyrimidinecarbonyl chloride, 5-chloro- (CAS No. 1246632-77-8)

4-Pyrimidinecarbonyl chloride, 5-chloro- (CAS No. 1246632-77-8) is a specialized heterocyclic compound widely utilized in pharmaceutical and agrochemical research. This pyrimidine derivative is particularly valued for its role as a building block in the synthesis of complex molecules. Its unique chloro-substituted structure enhances reactivity, making it indispensable in nucleophilic substitution reactions and cross-coupling applications.

In recent years, the demand for 5-chloro-4-pyrimidinecarbonyl chloride has surged due to its relevance in drug discovery and material science. Researchers are increasingly exploring its potential in designing kinase inhibitors and antiviral agents, aligning with global trends in precision medicine. The compound’s carbonyl chloride moiety also facilitates amide bond formation, a critical step in peptide synthesis and bioconjugation.

The CAS No. 1246632-77-8 identifier ensures traceability and compliance with regulatory standards, a key concern for industries prioritizing sustainable chemistry. Analytical techniques like HPLC and NMR are routinely employed to verify the purity of this compound, addressing the growing emphasis on quality control in fine chemical production. Its stability under inert conditions further supports its use in high-throughput screening.

From an SEO perspective, queries such as "5-chloro-4-pyrimidinecarbonyl chloride synthesis" and "CAS 1246632-77-8 applications" reflect user interest in practical protocols and industrial scalability. Environmental considerations are also prominent, with searches like "green chemistry alternatives for pyrimidine derivatives" gaining traction. This underscores the need for innovative, low-waste synthetic routes.

In conclusion, 4-Pyrimidinecarbonyl chloride, 5-chloro- exemplifies the intersection of structural versatility and functional utility. Its integration into cutting-edge research continues to expand, driven by advancements in catalysis and molecular design. As the scientific community seeks efficient synthetic methodologies, this compound remains a cornerstone in organic synthesis.

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