Cas no 20825-98-3 (Ethyl 5-chloronicotinate)

Ethyl 5-chloronicotinate is a versatile organic compound primarily used as an intermediate in pharmaceutical and agrochemical synthesis. Its key structural features include a chlorinated pyridine ring and an ester functional group, which enhance reactivity in nucleophilic substitution and coupling reactions. This compound is valued for its high purity and stability, making it suitable for precise synthetic applications. Its solubility in common organic solvents facilitates easy handling in laboratory and industrial settings. Ethyl 5-chloronicotinate is particularly useful in the development of active pharmaceutical ingredients (APIs) and specialty chemicals, where its consistent performance and reliable reactivity are critical. Proper storage under inert conditions ensures long-term usability.
Ethyl 5-chloronicotinate structure
Ethyl 5-chloronicotinate structure
Product Name:Ethyl 5-chloronicotinate
CAS No:20825-98-3
MF:C8H8ClNO2
MW:185.607621192932
MDL:MFCD01692171
CID:1055989
PubChem ID:210009
Update Time:2025-05-19

Ethyl 5-chloronicotinate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-chloro-5-pyridinecarboxylate
    • Ethyl 5-chloronicotinate
    • ETHYL 5‐CHLORONICOTINATE
    • ethyl 5-chloropyridine-3-carboxylate
    • CS-0151774
    • 3-Pyridinecarboxylic acid, 5-chloro-, ethyl ester
    • AKOS006277918
    • DTXSID10174943
    • A879403
    • SCHEMBL336221
    • Ethyl 5-chloro-3-pyridinecarboxylate
    • Ethyl 3-chloro-5pyridine carboxylate
    • BS-22037
    • SY031559
    • NPPHNBKRBUSDQB-UHFFFAOYSA-N
    • J-520866
    • BRN 0473371
    • SB52688
    • MFCD01692171
    • DB-082580
    • 20825-98-3
    • MDL: MFCD01692171
    • Inchi: 1S/C8H8ClNO2/c1-2-12-8(11)6-3-7(9)5-10-4-6/h3-5H,2H2,1H3
    • InChI Key: NPPHNBKRBUSDQB-UHFFFAOYSA-N
    • SMILES: ClC1=CN=CC(=C1)C(=O)OCC

Computed Properties

  • Exact Mass: 185.02400
  • Monoisotopic Mass: 185.024
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 163
  • 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: 1.9
  • Topological Polar Surface Area: 39.2A^2

Experimental Properties

  • Density: 1.245
  • Boiling Point: 247.9°C at 760 mmHg
  • Flash Point: 103.7°C
  • Refractive Index: 1.524
  • PSA: 39.19000
  • LogP: 1.91170

Ethyl 5-chloronicotinate Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Ethyl 5-chloronicotinate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:20825-98-3)Ethyl 5-chloronicotinate
Order Number:A879403
Stock Status:in Stock
Quantity:25g/5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 10:00
Price ($):541.0/154.0

Additional information on Ethyl 5-chloronicotinate

Comprehensive Overview of Ethyl 5-chloronicotinate (CAS No. 20825-98-3): Properties, Applications, and Industry Insights

Ethyl 5-chloronicotinate (CAS No. 20825-98-3) is a specialized organic compound widely recognized in pharmaceutical and agrochemical research. This ester derivative of 5-chloronicotinic acid exhibits unique reactivity, making it a valuable intermediate in synthetic chemistry. With the growing demand for nicotinate derivatives in drug discovery, this compound has garnered significant attention from researchers exploring heterocyclic building blocks for bioactive molecules.

The molecular structure of Ethyl 5-chloronicotinate features a chlorinated pyridine ring, which enhances its utility in cross-coupling reactions and nucleophilic substitutions. Recent studies highlight its role in developing crop protection agents, aligning with the agricultural industry's focus on sustainable pest control solutions. Analytical techniques like HPLC purity testing and NMR characterization are routinely employed to verify the compound's quality, reflecting the pharmaceutical sector's stringent standards.

In the context of green chemistry trends, researchers are investigating eco-friendly synthesis routes for CAS 20825-98-3 to reduce environmental impact. The compound's stability under various pH conditions makes it particularly interesting for formulation scientists working on extended-release medications. Industry reports suggest growing applications in neurological research, where modified nicotinates show potential in targeting specific receptors.

Storage and handling of Ethyl 5-chloronicotinate require standard laboratory precautions, with recommended conditions of controlled room temperature and moisture-free environments. Suppliers typically provide technical data sheets detailing its solubility profile (soluble in most organic solvents) and melting point range, which are critical parameters for process chemists. The compound's shelf life optimization has become a recent research focus, addressing stability challenges in tropical climates.

Market analysts observe increasing patent filings involving 5-chloronicotinate derivatives, particularly in biodegradable polymer applications and electronic materials. This aligns with the broader industry shift toward multifunctional intermediates that serve cross-sector purposes. Quality control protocols for CAS 20825-98-3 now frequently include residual solvent analysis and heavy metal screening to meet global regulatory requirements.

Emerging research explores the compound's potential in catalysis systems and ligand design for transition metal complexes. Its structural modularity allows diverse functionalization, making it attractive for combinatorial chemistry approaches. Recent publications have demonstrated innovative uses in fluorescence markers and bioimaging probes, expanding its utility beyond traditional applications.

For procurement specialists, key considerations include batch-to-batch consistency and supply chain transparency when sourcing Ethyl 5-chloronicotinate. The compound's pricing reflects the complexity of chloronicotinate synthesis and purification processes. Current Good Manufacturing Practice (cGMP) compliant versions are increasingly available to meet pharmaceutical industry demands for high-purity intermediates.

Environmental fate studies of 20825-98-3 indicate moderate biodegradability, prompting development of enhanced degradation methods. The scientific community continues to investigate its structure-activity relationships, particularly in designing selective enzyme inhibitors. These developments position Ethyl 5-chloronicotinate as a compound of enduring relevance in modern chemical research and industrial applications.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:20825-98-3)Ethyl 5-chloronicotinate
A879403
Purity:99%/99%
Quantity:25g/5g
Price ($):541.0/154.0
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