2,2,3,3-TETRAFLUORO-1,4-BUTANEDIOL CAS#: 425-61-6; ChemWhat Code: 58367
Identification
| Product Name | 2,2,3,3-TETRAFLUORO-1,4-BUTANEDIOL |
| IUPAC Name | 2,2,3,3-tetrafluorobutane-1,4-diol |
| Molecular Structure |  |
| CAS Registry Number | 425-61-6 |
| EINECS Number | No data available |
| MDL Number | MFCD00042375 |
| Beilstein Registry Number | No data available |
| Synonyms | 2,2,3,3-tetrafluorobutane-1,4-diol2,2,3,3-tetrafluoro-1,4-butanediol2,2,3,3-tetrafluorobutan-1,4-diol1H,1H,4H,4H-perfluoro-1,4-butanediol2,2,3,3-tetrafluorobutanediol |
| Molecular Formula | C4H6F4O2 |
| Molecular Weight | 162.082 |
| InChI | InChI=1S/C4H6F4O2/c5-3(6,1-9)4(7,8)2-10/h9-10H,1-2H2 |
| InChI Key | CDZXJJOGDCLNKX-UHFFFAOYSA-N |
| Canonical SMILES | OCC(F)(F)C(F)(F)CO |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN121949175 | Sulfonium sulfonate photoacid generator and photoresist composition thereof | 2026 |
| CN118459491 | Fluorine-containing micromolecular boron drug, preparation method and application thereof, and pharmaceutical composition | 2024 |
Physical Data
| Appearance | White solid |
| Solubility | Soluble in water. |
| Flash Point | 110-112°C/13mm |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C | Solvent (Melting Point) |
| 81 – 82 | CCl4, ethyl acetate |
| 83 – 84 | |
| 85 | benzene |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 98 | 10 |
| 110 – 112 | 13 |
Spectra
| Description (IR Spectroscopy) |
| Bands |
Route of Synthesis (ROS)
| Conditions | Yield |
| Stage #1: 2,2,3,3-tetrafluorobutane-1,4-diol With pyridine In dichloromethaneat 0°C; for 0.166667h;Stage #2: trifluoromethylsulfonic anhydride In dichloromethane at 20°C; for 12h; | 100% |
| Stage #1: 2,2,3,3-tetrafluorobutane-1,4-diol With pyridine In dichloromethaneat 20°C;Stage #2: trifluoromethylsulfonic anhydride In dichloromethane at 20°C; | 95% |
| Stage #1: 2,2,3,3-tetrafluorobutane-1,4-diol With pyridine In dichloromethane for 0.25h; Stage #2: trifluoromethylsulfonic anhydride In dichloromethane at 20°C; for 13h; | 92% |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement) (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 162.084 |
| logP | 0.554 |
| HBA | 2 |
| HBD | 2 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 40.46 |
| Rotatable Bond (RotB) | 3 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Fluorinated Polyurethanes: Used as a functional building block in the synthesis of segmented polyurethanes and perfluoropolyether-modified polyurethanes. |
| Fluorinated Polyesters and Specialty Polymers: Serves as a difunctional monomer or intermediate for introducing fluorinated segments into polymer structures. |
| Electronic Materials Development: Potentially suitable as a high-purity intermediate for developing specialty fluorinated polymers, functional coatings, and other advanced materials for electronic applications, subject to application-specific validation. |
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