Cas no 898780-30-8 ((3,5-difluorophenyl)-pyridin-2-ylmethanone)

(3,5-Difluorophenyl)-pyridin-2-ylmethanone is a fluorinated aromatic ketone characterized by its distinct molecular structure, combining a pyridine ring with a difluorophenyl moiety. This compound is valued in pharmaceutical and agrochemical research for its potential as a versatile synthetic intermediate. The presence of fluorine atoms enhances its metabolic stability and lipophilicity, making it useful in the design of bioactive molecules. Its rigid scaffold allows for precise structural modifications, facilitating the development of targeted compounds. The compound’s high purity and well-defined reactivity profile ensure reproducibility in synthetic applications. It is particularly relevant in medicinal chemistry for probing enzyme interactions or optimizing lead compounds. Proper handling and storage are recommended due to its sensitivity to moisture and light.
(3,5-difluorophenyl)-pyridin-2-ylmethanone structure
898780-30-8 structure
Product Name:(3,5-difluorophenyl)-pyridin-2-ylmethanone
CAS No:898780-30-8
MF:C12H7F2NO
MW:219.186889886856
MDL:MFCD07699265
CID:1946300
PubChem ID:24723582
Update Time:2025-05-28

(3,5-difluorophenyl)-pyridin-2-ylmethanone Chemical and Physical Properties

Names and Identifiers

    • (3,5-difluorophenyl)-pyridin-2-ylmethanone
    • 2-(3,5-DIFLUOROBENZOYL)PYRIDINE
    • CTK5G5894
    • AG-H-66027
    • KB-162592
    • 2-(2,3,5,6-TETRAMETHYL-PHENYL)-ACETAMIDINE
    • 898780-30-8
    • DTXSID00642020
    • (3,5-Difluorophenyl)(2-pyridinyl)methanone
    • AKOS012085476
    • (3,5-Difluorophenyl)(pyridin-2-yl)methanone
    • MFCD07699265
    • MDL: MFCD07699265
    • Inchi: 1S/C12H7F2NO/c13-9-5-8(6-10(14)7-9)12(16)11-3-1-2-4-15-11/h1-7H
    • InChI Key: OBWKIDDQSCZLQT-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=C(C=1)C(C1C=CC=CN=1)=O)F

Computed Properties

  • Exact Mass: 219.05000
  • Monoisotopic Mass: 219.04957017Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 249
  • 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: 2.1
  • Topological Polar Surface Area: 30?2

Experimental Properties

  • Density: 1.295
  • Boiling Point: 333.2°C at 760 mmHg
  • Flash Point: 155.3°C
  • Refractive Index: 1.552
  • PSA: 29.96000
  • LogP: 2.59080

(3,5-difluorophenyl)-pyridin-2-ylmethanone 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%

(3,5-difluorophenyl)-pyridin-2-ylmethanone Pricemore >>

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