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2,3,5,6-Tetrafluorterephthalsure
2,3,5,6-TETRAFLUOROTEREPHTHALIC ACID · 2,3,5,6-TETRAFLUORO-1,4-BENZENEDICARBOXYLIC ACID · 2,3,5,6-Tetrafluorobenzene-1,4-dicarboxylic acid · DK7482 · JACS-652-36-8 · RARECHEM AL BO 0018 · TETRAFLUOROTEREPHTHALIC ACID · Tetrafluoroterephthalicacid97%
Identifikatoren & physikalische Daten
| CAS No. | 652-36-8 |
|---|---|
| Summenformel | C8H2F4O4 |
| Durchschnittliche Molmasse | 238,09 g/mol |
| Monoisotopische Masse | 237,98892142 g/mol |
| SMILES | O=C(O)c1c(F)c(F)c(C(=O)O)c(F)c1F |
| InChIKey | WFNRNCNCXRGUKN-UHFFFAOYSA-N |
| PubChem CID | 69549 |
| EC No. | 211-489-7 |
| DTXSID | DTXSID40215510 |
| Lokaler Name | 2,3,5,6-Tetrafluorterephthalsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 264 |
| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| Schmelzpunkt | 275-277 °C (dec.)(lit.) |
| Siedepunkt | 337.9±42.0 °C(Predicted) |
| Dichte | 1.812±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | very faint turbidity in hot Water |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 0.95±0.10(Predicted) |
| Farbe | White to Light yellow |
| InChI | InChI=1S/C8H2F4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16) |
| InChIKey | WFNRNCNCXRGUKN-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=C(F)C(F)=C(C(O)=O)C(F)=C1F |
| CAS Datenbank | 652-36-8(CAS DataBase Reference) |
| NIST chemische Informationen | Terephthalic acid, tetrafluoro-(652-36-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]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)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29173990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi,C |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | CORROSIVEEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,3,5,6-Tetrafluoroterephthalic Acid is used in the preparation of zinc/nickel/copper imidazolylpyridinone tetrafluoroterephthalate.