Cas no 923033-01-6 (1-(3,4,5-Trifluorophenyl)ethanol)

1-(3,4,5-Trifluorophenyl)ethanol structure
923033-01-6 structure
Product Name:1-(3,4,5-Trifluorophenyl)ethanol
CAS No:923033-01-6
MF:C8H7F3O
MW:176.135792970657
MDL:MFCD11520971
CID:738374
PubChem ID:59386327
Update Time:2024-10-26

1-(3,4,5-Trifluorophenyl)ethanol Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol, 3,4,5-trifluoro-a-methyl-
    • 1-(3,4,5-Trifluorophenyl)ethanol
    • (R)-1-(3,4,5-trifluorophenyl)ethanol
    • NAYLCQZIPKCMBT-UHFFFAOYSA-N
    • 1(3,4,5-Trifluorophenyl)ethanol
    • 1-(3,4,5-trifluorophenyl)ethan-1-ol
    • 923033-01-6
    • SCHEMBL392712
    • CS-0378159
    • F83927
    • AKOS010915641
    • SB84426
    • MDL: MFCD11520971
    • Inchi: 1S/C8H7F3O/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-4,12H,1H3
    • InChI Key: NAYLCQZIPKCMBT-UHFFFAOYSA-N
    • SMILES: FC1C(=C(C=C(C=1)C(C)O)F)F

Computed Properties

  • Exact Mass: 176.04489933g/mol
  • Monoisotopic Mass: 176.04489933g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 141
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.2
  • XLogP3: 1.7

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 193.2±35.0 °C at 760 mmHg
  • Flash Point: 83.5±20.4 °C
  • Vapor Pressure: 0.3±0.4 mmHg at 25°C

1-(3,4,5-Trifluorophenyl)ethanol Security Information

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