Cas no 54752-50-0 (7-(trifluoromethyl)tetralin-1-one)

7-(trifluoromethyl)tetralin-1-one structure
54752-50-0 structure
Product Name:7-(trifluoromethyl)tetralin-1-one
CAS No:54752-50-0
MF:C11H9F3O
MW:214.183773756027
MDL:MFCD08234368
CID:942773
PubChem ID:10262659
Update Time:2024-11-03

7-(trifluoromethyl)tetralin-1-one Chemical and Physical Properties

Names and Identifiers

    • 7-(trifluoromethyl)-1-tetralone
    • 7-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-one
    • 7-(trifluoromethyl)-3,4-dihydronaphthalen-1(2H)-one
    • 7-Trifluoromethyl-3,4-dihydro-2H-naphthalen-1-one
    • 7-trifluoromethyl-1-tetralone
    • 3,4-Dihydro-7-(trifluoromethyl)-1(2H)-naphthalenone
    • 7-(Trifluoromethyl)tetralin-1-one
    • MFCD08234368
    • SCHEMBL9024341
    • 7-(trifluoromethyl)3,4-dihydro-2H-naphthalen-1-one
    • 5-BROMO-2-CHLORO-4-PYRIDINEBORONICACID
    • F12703
    • DTXSID70437521
    • AM9369
    • DWJWQWRIRONTKT-UHFFFAOYSA-N
    • MB05375
    • CS-0200330
    • AS-47217
    • 54752-50-0
    • DB-350675
    • SY030433
    • AKOS024260317
    • 7-(trifluoromethyl)tetralin-1-one
    • MDL: MFCD08234368
    • Inchi: 1S/C11H9F3O/c12-11(13,14)8-5-4-7-2-1-3-10(15)9(7)6-8/h4-6H,1-3H2
    • InChI Key: DWJWQWRIRONTKT-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC2=C(C=1)C(CCC2)=O)(F)F

Computed Properties

  • Exact Mass: 214.06100
  • Monoisotopic Mass: 214.06054939g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 259
  • 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: 2.9
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.288±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 269.7±40.0 oC (760 Torr),
  • Flash Point: 117.2±18.8 oC,
  • Solubility: Almost insoluble (0.084 g/l) (25 o C),
  • PSA: 17.07000
  • LogP: 3.22440

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