Cas no 898785-48-3 (1-(3-chloropyridin-4-yl)-4-cyclohexylbutan-1-one)

1-(3-Chloropyridin-4-yl)-4-cyclohexylbutan-1-one is a specialized organic compound featuring a chloropyridinyl moiety linked to a cyclohexylbutanone framework. Its unique structure combines aromatic and aliphatic components, making it a valuable intermediate in synthetic chemistry, particularly for pharmaceuticals and agrochemicals. The chloropyridine group enhances reactivity, facilitating further functionalization, while the cyclohexylbutanone segment contributes to steric stability and lipophilicity. This compound is optimized for applications requiring precise molecular modifications, such as the development of bioactive molecules or fine chemical synthesis. Its well-defined chemical properties ensure consistent performance in complex reactions, offering reliability in research and industrial processes.
1-(3-chloropyridin-4-yl)-4-cyclohexylbutan-1-one structure
898785-48-3 structure
Product Name:1-(3-chloropyridin-4-yl)-4-cyclohexylbutan-1-one
CAS No:898785-48-3
MF:C15H20ClNO
MW:265.778403282166
MDL:MFCD08064105
CID:880930
PubChem ID:24723729
Update Time:2025-05-28

1-(3-chloropyridin-4-yl)-4-cyclohexylbutan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(3-chloropyridin-4-yl)-4-cyclohexylbutan-1-one
    • 1-(2-CHLORO-PYRIDIN-4-YL)-4-CYCLOHEXYL-BUTAN-1-ONE
    • 3-Chloro-4-pyridyl (3-cyclohexyl)propyl ketone
    • 3-CHLORO-PYRIDIN-4-YL (3-CYCLOHEXYLPROPYL) KETONE
    • AKOS016019030
    • 2-Chloro-4-pyridyl(3-cyclohexyl)propylketone
    • 898785-48-3
    • 2-Chloro-4-pyridyl (3-cyclohexyl)propyl ketone
    • MFCD07699444
    • 1-(2-chloropyridin-4-yl)-4-cyclohexylbutan-1-one
    • MDL: MFCD08064105
    • Inchi: 1S/C15H20ClNO/c16-15-11-13(9-10-17-15)14(18)8-4-7-12-5-2-1-3-6-12/h9-12H,1-8H2
    • InChI Key: APBRLIDCEWIMPH-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=CN=1)C(CCCC1CCCCC1)=O

Computed Properties

  • Exact Mass: 265.12300
  • Monoisotopic Mass: 265.123
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 263
  • 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: 30A^2
  • XLogP3: 5.1

Experimental Properties

  • Density: 1.099
  • Boiling Point: 400.8°C at 760 mmHg
  • Flash Point: 196.2°C
  • Refractive Index: 1.526
  • PSA: 29.96000
  • LogP: 4.66830

1-(3-chloropyridin-4-yl)-4-cyclohexylbutan-1-one 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%

1-(3-chloropyridin-4-yl)-4-cyclohexylbutan-1-one Pricemore >>

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