Cas no 104371-20-2 ((1S)-1-(pentafluorophenyl)ethan-1-ol)

(1S)-1-(Pentafluorophenyl)ethan-1-ol is a chiral fluorinated alcohol featuring a pentafluorophenyl group attached to a stereogenic carbon center. This compound is of significant interest in asymmetric synthesis and pharmaceutical intermediates due to its electron-withdrawing pentafluorophenyl moiety, which enhances reactivity and selectivity in nucleophilic or catalytic transformations. The (S)-enantiomer offers precise stereochemical control, making it valuable for enantioselective applications. Its high purity and well-defined configuration ensure reproducibility in fine chemical synthesis. The presence of fluorine atoms also imparts unique physicochemical properties, such as increased stability and lipophilicity, which are advantageous in medicinal chemistry and material science applications.
(1S)-1-(pentafluorophenyl)ethan-1-ol structure
104371-20-2 structure
Product Name:(1S)-1-(pentafluorophenyl)ethan-1-ol
CAS No:104371-20-2
MF:C8H5F5O
MW:212.116719961166
MDL:MFCD00077840
CID:126185
PubChem ID:6993305
Update Time:2025-10-11

(1S)-1-(pentafluorophenyl)ethan-1-ol Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol,2,3,4,5,6-pentafluoro-a-methyl-, (aS)-
    • (1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
    • (-)-(S)-1-(pentafluorophenyl)ethanol
    • (S)-(-)-
    • (S)-(-)-1-(Pentafluorophenyl)ethanol
    • (S)-(-)-1-(Pentafluorphenyl)ethanol
    • (S)-1-(2',3',4',5',6'-perfluorophenyl)ethanol
    • (S)-1-(pentafluorophenyl)ethanol
    • (S)-1-pentafluorophenylethan-1-ol
    • 76746_FLUKA
    • AC1ODTD8
    • A-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol
    • S(-)-1-(PENTAFLUOROPHENYL)ETHANOL
    • (1S)-1-(Pentafluorophenyl)ethanol
    • (αS)-α-Methyl-2,3,4,5,6-pentafluorobenzenemethanol
    • (s)-(-)-α-methyl-2,3,4,5,6-pentafluorobenzyl alcohol
    • S(-)-ALPHA-METHYL-2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
    • (S)-(-)-1-(PENTAFLUOROPHENYL)ETHANOL, FL UKABRAND CHIRASELECT REAGENT, 99+%
    • (1S)-1-(pentafluorophenyl)ethan-1-ol
    • 104371-20-2
    • AKOS030230322
    • J-001158
    • (S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
    • (S)-(-)-alpha-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol, for chiral derivatization, >=99.0%
    • (S)-(-)-1-(Pentafluoro-phenyl)ethanol
    • PS-12012
    • MFCD00077840
    • EN300-1848202
    • (S)-1-(perfluorophenyl)ethanol
    • (S)-(?)-alpha-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol
    • (S)-(-)-alpha-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol
    • (S)-(-)-1-(pentafluorophenyl)-ethanol
    • (S)-(-)- alpha -Methyl-2,3,4,5,6-pentafluorobenzyl alcohol
    • SCHEMBL5327956
    • (1S)-1-(2,3,4,5,6-pentafluorophenyl)ethan-1-ol
    • WYUNHWKTLDBPLE-REOHCLBHSA-N
    • MDL: MFCD00077840
    • Inchi: 1S/C8H5F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h2,14H,1H3/t2-/m0/s1
    • InChI Key: WYUNHWKTLDBPLE-REOHCLBHSA-N
    • SMILES: FC1C(=C(C(=C(C=1[C@H](C)O)F)F)F)F

Computed Properties

  • Exact Mass: 212.02605
  • Monoisotopic Mass: 212.02605559g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 186
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 1.498
  • Melting Point: 40-43?°C
    41-42?°C (lit.)
  • Boiling Point: 162.9°Cat760mmHg
  • Flash Point: Fahrenheit: 188.6 ° f < br / > Celsius: 87 ° C < br / >
  • Refractive Index: 1.44
  • PSA: 20.23
  • LogP: 2.43540
  • Optical Activity: [α]20/D ?7.0±0.5°, c =?1% in pentane

(1S)-1-(pentafluorophenyl)ethan-1-ol Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • FLUKA BRAND F CODES:10
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38
  • Safety Term:S26-36

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(1S)-1-(pentafluorophenyl)ethan-1-ol Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:104371-20-2)(1S)-1-(pentafluorophenyl)ethan-1-ol
Order Number:A1153615
Stock Status:in Stock
Quantity:1g/5g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 23:21
Price ($):401.0/958.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:104371-20-2)(1S)-1-(pentafluorophenyl)ethan-1-ol
A1153615
Purity:99%/99%
Quantity:1g/5g
Price ($):401.0/958.0
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