Cas no 896618-57-8 ((3-fluorophenyl)-thiophen-3-ylmethanone)

(3-Fluorophenyl)-thiophen-3-ylmethanone is a fluorinated aromatic ketone compound featuring a thiophene moiety. Its molecular structure, combining a fluorophenyl group with a thiophene ring, lends itself to applications in pharmaceutical and materials chemistry, particularly as a building block for heterocyclic synthesis. The fluorine substitution enhances electronic properties, potentially improving reactivity and binding affinity in medicinal chemistry contexts. This compound is valued for its versatility in cross-coupling reactions and as an intermediate in the development of bioactive molecules. High purity and well-defined structural characteristics make it suitable for research in drug discovery and advanced material design. Proper handling and storage are recommended due to its sensitivity to light and moisture.
(3-fluorophenyl)-thiophen-3-ylmethanone structure
896618-57-8 structure
Product Name:(3-fluorophenyl)-thiophen-3-ylmethanone
CAS No:896618-57-8
MF:C11H7FOS
MW:206.236085176468
MDL:MFCD07699024
CID:877606
PubChem ID:24723396
Update Time:2025-05-28

(3-fluorophenyl)-thiophen-3-ylmethanone Chemical and Physical Properties

Names and Identifiers

    • (3-fluorophenyl)-thiophen-3-ylmethanone
    • 3-(3-FLUOROBENZOYL)THIOPHENE
    • DTXSID00641836
    • AKOS010016664
    • 896618-57-8
    • MFCD07699024
    • (3-Fluorophenyl)(thiophen-3-yl)methanone
    • MDL： MFCD07699024
    • Inchi： 1S/C11H7FOS/c12-10-3-1-2-8(6-10)11(13)9-4-5-14-7-9/h1-7H
    • InChI Key： MWVKQWWXIODXPB-UHFFFAOYSA-N
    • SMILES： S1C=CC(=C1)C(C1C=CC=C(C=1)F)=O

Computed Properties

  • Exact Mass: 206.02000
  • Monoisotopic Mass: 206.02016418g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 219
  • 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
  • Topological Polar Surface Area: 45.3?2

Experimental Properties

  • Density: 1.279
  • Boiling Point: 314.2°C at 760 mmHg
  • Flash Point: 143.8°C
  • Refractive Index: 1.59
  • PSA: 45.31000
  • LogP: 3.11820

(3-fluorophenyl)-thiophen-3-ylmethanone Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

(3-fluorophenyl)-thiophen-3-ylmethanone Pricemore >>

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