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Heptacosafluortetradecansure
PFTEDA · HEPTACOSAFLUOROTETRADECANOIC ACID · PERFLUOROMYRISTIC ACID · PERFLUOROTETRADECANOIC ACID · Perfluorotetradecanoicacid97% · PERFLUOROTETRADECANOIC ACID,NA · Perfluorotetradecanoic acid,95% · Perfluorotetradecanoic acid 97%
Identifikatoren & physikalische Daten
| CAS No. | 376-06-7 |
|---|---|
| Summenformel | C13F27COOH |
| Durchschnittliche Molmasse | 714,11 g/mol |
| Monoisotopische Masse | 713,95454121 g/mol |
| SMILES | O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| InChIKey | RUDINRUXCKIXAJ-UHFFFAOYSA-N |
| PubChem CID | 67822 |
| EC No. | 206-803-4 |
| DTXSID | DTXSID3059921 |
| Lokaler Name | Heptacosafluortetradecansure |
Chemische & physikalische Eigenschaften
| XLogP | 9 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 29 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 43 |
| Formalladung | 0 |
| Komplexität | 1.060 |
| Stoffklassen | Ionic Liquids -> Fluorinated Ionic Liquids |
| PFAS | PFAS -> Perfluorocarboxylic acidsPFAS -> Identified in migrating and extractable food contact chemical dataPFAS -> PFAS with analytical method availablePFAS -> non-polymerPFAS -> PFcarboxylic acids (PFCA)PFAS -> Perfluoroalkyl acids (PFAAs) |
| Collision Cross Section | 187.6 Ų [M-H-CO2]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: PFAS]302.02 Ų [2M-H]- |
| Schmelzpunkt | 130-135 °C(lit.) |
| Siedepunkt | 270 °C740 mm Hg(lit.) |
| Dichte | 0.89 |
| Flammpunkt | 192°C/60mm |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Chloroform (Slightly, Heated, Sonicated), Methanol (Slightly, Sonicated)It is insoluble in water. |
| pKa (Säurekonstante) | 0.52±0.10(Predicted) |
| Aggregatzustand | solid |
| Farbe | white |
| BRN | 1811438 |
| Henry-Konstante | 1.6×10-3 mol/(m3Pa) at 25℃, Plassmann et al. (2011) |
| InChI | 1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43) |
| InChIKey | RUDINRUXCKIXAJ-UHFFFAOYSA-N |
| SMILES | OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| CAS Datenbank | 376-06-7(CAS DataBase Reference) |
| EPA chemische Informationen | Perfluorotetradecanoic acid (376-06-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (3 of 9) of reports.DangerH302+H332 (11.1%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Hazard Traits - BioaccumulationEnvironmental PersistenceHazard Traits - Hazard Trait UndefinedS - indicates a substance that is identified in a final Significant New Use Rule.Restricted substance: Heptacosafluorotetradecanoic acidSubstance: Heptacosafluorotetradecanoic acid |
| Hazard Classes and Categories | Acute Tox. 4 (11.1%) |
| RAIS Toxicity Values | 0.001WI Current |
| Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 | 6.30e+018.20e+022.00e+014.00e-039.40e+001.00e-03 |
| Hazard Quotient Level 3 or Cancer Risk Level 1E-04 | 1.90e+022.50e+036.00e+014.00e-031.00e-03Volatile |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3261 |
| Zollcode | 29159000 |
Anwendungen & Verwendung
Verwenden
Perfluorotetradecanoic acid is used for GC (Gas Chromatography) and LC (Liquid Chromatography) analysis.