Cas no 1346809-63-9 (4-Chloro-2-isobutoxypyridine)

4-Chloro-2-isobutoxypyridine is a halogenated pyridine derivative characterized by the presence of a chloro substituent at the 4-position and an isobutoxy group at the 2-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its structural features, including the electron-withdrawing chloro group and the branched alkoxy chain, enhance reactivity in nucleophilic substitution and coupling reactions. The isobutoxy moiety may also influence solubility and steric properties, making it useful in fine-tuning molecular interactions. High-purity grades are available for applications requiring precise control over reaction pathways. Proper handling and storage under inert conditions are recommended due to potential sensitivity to moisture and air.
4-Chloro-2-isobutoxypyridine structure
4-Chloro-2-isobutoxypyridine structure
Product Name:4-Chloro-2-isobutoxypyridine
CAS No:1346809-63-9
MF:C9H12ClNO
MW:185.650681495667
CID:1033798
PubChem ID:71303322
Update Time:2025-06-07

4-Chloro-2-isobutoxypyridine Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-2-isobutoxypyridine
    • 4-chloro-2-(2-methylpropoxy)pyridine
    • 1346809-63-9
    • DB-241713
    • DTXSID60744897
    • Inchi: 1S/C9H12ClNO/c1-7(2)6-12-9-5-8(10)3-4-11-9/h3-5,7H,6H2,1-2H3
    • InChI Key: RYDUUSXJNHHINW-UHFFFAOYSA-N
    • SMILES: ClC1C=CN=C(C=1)OCC(C)C

Computed Properties

  • Exact Mass: 185.0607417g/mol
  • Monoisotopic Mass: 185.0607417g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 130
  • 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: 3.1
  • Topological Polar Surface Area: 22.1?2

4-Chloro-2-isobutoxypyridine Pricemore >>

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