HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pentafluorpropionsure
PENTAFLUOROPROPIONIC ACID · PERFLUOROPROPANOIC ACID · 2,2,3,3,3-Pentafluoropropanoic acid · Pentafluoropropanoic acid · Pentafluoropropionic acid (PFPA) · 2,2,3,3,3-PENTAFLUOROPROPIONIC ACID · IPC-PFFA-3 · uoropropionic Acid
Identifikatoren & physikalische Daten
| CAS No. | 422-64-0 |
|---|---|
| Summenformel | C3HF5O2 |
| Durchschnittliche Molmasse | 164,03 g/mol |
| Monoisotopische Masse | 163,98967037 g/mol |
| SMILES | O=C(O)C(F)(F)C(F)(F)F |
| InChIKey | LRMSQVBRUNSOJL-UHFFFAOYSA-N |
| PubChem CID | 62356 |
| EC No. | 207-021-6 |
| DTXSID | DTXSID8059970 |
| Lokaler Name | Pentafluorpropionsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 147 |
| Stoffklassen | Ionic Liquids -> Fluorinated Ionic Liquids |
| PFAS | PFAS -> Perfluorocarboxylic acidsPFAS -> Other/unspecifiedPFAS -> Ultra Short Chain PFcarboxylic acidsPFAS -> non-polymer |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Collision Cross Section | 115.1 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: PFAS] |
| Siedepunkt | 96-97 °C (lit.) |
| Dichte | 1.561 g/mL at 25 °C (lit.) |
| Dampfdichte | ~5.6 (vs air) |
| Dampfdruck | ~40 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.284(lit.) |
| Flammpunkt | None |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Soluble in waterChloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 0.38±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly brown |
| Wichte | 1.561 |
| BRN | 1773387 |
| Henry-Konstante | 8.8×100 mol/(m3Pa) at 25℃, Kwan (2001) |
| Stabilität | hygroscopic |
| Hauptanwendungen | PFAS testing |
| InChI | 1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10) |
| InChIKey | LRMSQVBRUNSOJL-UHFFFAOYSA-N |
| SMILES | OC(=O)C(F)(F)C(F)(F)F |
| CAS Datenbank | 422-64-0(CAS DataBase Reference) |
| NIST chemische Informationen | Pentafluoropropionic acid(422-64-0) |
| EPA chemische Informationen | Pentafluoropropionic acid (422-64-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Propanoic acid, pentafluoro-2,2,3,3,3-Pentafluoropropionic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| RAIS Toxicity Values | 0.0005ORD Current |
| USGS Health-Based Screening Levels for Evaluating Water-Quality | Perfluoropropanoic acid (PFPrA)PFAS3The HBSL is based on the Noncancer RfD from Office of Research and DevelopmentSmith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP |
| Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 | 3.90e+015.80e+029.80e+004.00e-032.10e-035.00e-04 |
| Hazard Quotient Level 3 or Cancer Risk Level 1E-04 | 1.20e+021.80e+032.90e+014.00e-035.00e-04Volatile |
| F | 3 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29159080 |
| RTECS-Nr. | UF6475000 |
| R-Sätze (R) | 20-34 |
| Toxizität | LD10 orl-rat: 750 mg/kg GTPZAB10(3),13,66 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 3 InhalationEye Dam. 1Met. Corr. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
Pentafluoropropionic acid is used as an efficient catalyst for the preparation of dibenzo[a, j] xanthenes by condensation reaction of beta-naphthol with aryl aldehydes.
Verwenden
Pentafluoropropionic acid (Perfluoropropionic acid) was used in the analysis of gentamicin with Gemini column by liquid chromatographic (LC) methods.