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| | Pentafluoro-1-propanol Basic information |
| Product Name: | Pentafluoro-1-propanol | | Synonyms: | 2，2，3，3，3-Pentafluoropropanol-1;1H,1H-PENTAFLUOROPROPANOL 97%;2,2,3,3,3-Pentafluoropropan-1-ol 98%;2,2,3,3,3-Pentafluoropropan-1-ol98%;2,2,3,3,3-Pentafluoropropanol (PFP);2,2,3,3,3-PENTAFLUORO-L-PROPANOL;2,2,3,3,3-Pentafluoro-1-propanol, 95+%;Pentafluoropropylalcohol | | CAS: | 422-05-9 | | MF: | C3H3F5O | | MW: | 150.05 | | EINECS: | 207-012-7 | | Product Categories: | Acylation Reagent | | Mol File: | 422-05-9.mol |  |
| | Pentafluoro-1-propanol Chemical Properties |
| Boiling point | 80 °C748 mm Hg(lit.) | | density | 1.505 g/mL at 25 °C(lit.) | | vapor pressure | 62.055-324.857hPa at 24.93-54.78℃ | | refractive index | n20/D 1.288(lit.) | | Fp | 80-81°C | | storage temp. | Flammables area | | form | Powder, Crystals and/or Chunks | | pka | 12.45±0.10(Predicted) | | Specific Gravity | 1.509 | | color | White to off-white to light yellow | | Water Solubility | Soluble in water.21.9 g/L at 25°C | | BRN | 1743133 | | Henry's Law Constant | 1.4×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019) | | InChI | 1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2 | | InChIKey | PSQZJKGXDGNDFP-UHFFFAOYSA-N | | SMILES | OCC(F)(F)C(F)(F)F | | LogP | 1.23 | | CAS DataBase Reference | 422-05-9(CAS DataBase Reference) | | NIST Chemistry Reference | 2,2,3,3,3-Pentafluoro-1-propanol(422-05-9) | | EPA Substance Registry System | 1-Propanol, 2,2,3,3,3-pentafluoro- (422-05-9) |
| Hazard Codes | Xn,Xi | | Risk Statements | 22-36/37/38-20-10 | | Safety Statements | 26-36-36/37/39-16 | | RIDADR | 1987 | | WGK Germany | 3 | | RTECS | UB8800000 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | HS Code | 29055900 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Acute Tox. 4 Oral
STOT RE 2 Inhalation | | Toxicity | LDLo orl-rat: 2250 mg/kg JOCMA7 4,262,62 |
| | Pentafluoro-1-propanol Usage And Synthesis |
| Chemical Properties | clear colorless to slightly yellow liquid | | Uses | 2,2,3,3,3-Pentafluoro-1-Propanol is a useful reagent for the preparation of (oxoindolinyl)ethers/benzoates via photochemical O-H functionalization reactions of cyclic diazoamides. | | Uses | 2,2,3,3,3-Pentafluoro-1-propanol has been used:
- as derivatization reagent in detection of unlabeled and 15N2 -labeled L-tryptophan, L-kynurenine, serotonin and quinolinic acid in human and rat plasma by GC-MS
- as derivatization reagent in simultaneous analysis of cocaine, cocaethylene and their possible metabolic and pyrolytic products in blood, urine and muscle by GC-MS
- preparation of trifluoromethyl ynamines which, in turn, converted aldehydes to α-trifluoromethyl-α,β-unsaturated amides
- to generate fluorinated α-keto ethers with alkenes and has wide applications in the expanding fluorous research area
| | General Description | 2,2,3,3,3-Pentafluoro-1-propanol is an alternative cleaning agent for chlorofluorocarbon. | | reaction suitability | reagent type: derivatization reagent
reaction type: Acylations | | Safety Profile | Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Fí. | | Purification Methods | Shake the alcohol with alumina for 24hours, dry with anhydrous K2CO3, and distil it, collect the middle fraction (b 80-81o) and redistil it. [Beilstein 1 IV 1438.] |
| | Pentafluoro-1-propanol Preparation Products And Raw materials |
| Preparation Products | 2,2,3,3,3-Pentafluoropropyl 2,2,2-trifluoroethyl carbonate-->2,2,3,3,3-PENTAFLUOROPROPYL TRIFLUOROMETHANESULFONATE-->1H,1H,2'H-PERFLUORODIPROPYL ETHER-->1H,1H-Pentafluoropropyl methacrylate-->Pentafluoroethane-->2,2,3,3,3-PENTAFLUOROPROPOXYLMETHYLOXIRANE |
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