Cas no 29114-66-7 (4'-Fluorovalerophenone)

4'-Fluorovalerophenone structure
4'-Fluorovalerophenone structure
Product Name:4'-Fluorovalerophenone
CAS No:29114-66-7
MF:C11H13FO
MW:180.218726873398
CID:287303
Update Time:2024-10-30

4'-Fluorovalerophenone Chemical and Physical Properties

Names and Identifiers

    • p-Fluorovalerophenone
    • 4'-Fluorovalerophenone
    • 1-Pentanone,2-fluoro-1-phenyl-
    • 1-phenyl-2-fluoropentan-1-one
    • 2-fluoro-1-phenyl-1-pentanone
    • 4-FLUOROVALEROPHENONE
    • N-BUTYL 4-FLUOROPHENYL KETONE
    • p-Fluorovalerophenone,99%
    • 4 fluro phenyl butyl ketone
    • TIMTEC-BB SBB005843
    • 4'-Fluorovalerophenone, n-Butyl 4-fluorophenyl ketone, пара-фторвалерофенон
    • MDL： MFCD13172608
    • Inchi： 1S/C11H13FO/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3
    • InChI Key： RPMYYOMYKLOZNP-UHFFFAOYSA-N
    • SMILES： C(C1=CC=CC=C1)(=O)C(F)CCC
    • BRN： 2502250

Computed Properties

  • Exact Mass: 180.09500
  • Monoisotopic Mass: 180.095043
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 160
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 3.1
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Color/Form: White low melting point solid
  • Density: 1.022±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 23-25 °C
  • Boiling Point: 252.3±10.0 oC (760 Torr),
  • Flash Point: 115.0±9.3 oC,
  • Refractive Index: 1.4970
  • Solubility: Very slightly soluble (0.23 g/l) (25 o C),
  • PSA: 17.07000
  • LogP: 3.19860
  • Solubility: Insoluble in water

4'-Fluorovalerophenone Security Information

  • Safety Instruction： S24/25
  • Safety Term：S24/25
  • Storage Condition：Refrigerator, Under inert atmosphere

4'-Fluorovalerophenone Customs Data

  • HS CODE：29147000

4'-Fluorovalerophenone Pricemore >>

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4'-Fluorovalerophenone Production Method

4'-Fluorovalerophenone Related Literature

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