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3,4,5,6-Tetrafluorphthalsure
3,4,5,6-TETRAFLUOROPHTHALIC ACID · JACS-652-03-9 · RARECHEM AL BO 0016 · Tetrafluorophthalic · Moxifloxacin Impurity 82 · TETRAFLUOROPHTHALIC ACID · Moxifloxacin Impurity 95 · Tetrafluorophthalicacid98%
Identifikatoren & physikalische Daten
| CAS No. | 652-03-9 |
|---|---|
| Summenformel | C8H2F4O4 |
| Durchschnittliche Molmasse | 238,09 g/mol |
| Monoisotopische Masse | 237,98892142 g/mol |
| SMILES | O=C(O)c1c(F)c(F)c(F)c(F)c1C(=O)O |
| InChIKey | YJLVXRPNNDKMMO-UHFFFAOYSA-N |
| PubChem CID | 69544 |
| EC No. | 211-483-4 |
| DTXSID | DTXSID10215502 |
| Lokaler Name | 3,4,5,6-Tetrafluorphthalsure |
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 | 280 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 152-154 °C(lit.) |
| Siedepunkt | 345.7±42.0 °C(Predicted) |
| Dichte | 1.6239 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | almost transparency in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 1.28±0.10(Predicted) |
| Farbe | White to Light yellow to Light orange |
| BRN | 2057012 |
| InChI | InChI=1S/C8H2F4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16) |
| InChIKey | YJLVXRPNNDKMMO-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=C(F)C(F)=C(F)C(F)=C1C(O)=O |
| CAS Datenbank | 652-03-9(CAS DataBase Reference) |
| NIST chemische Informationen | Tetrafluorophthalic acid(652-03-9) |
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 48 reports by companies from 7 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) | 36/37/38-37/38-36 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Tetrafluorophthalic Acid, can be used as a starting material in the synthesis of various chemical compounds such as Perfluoroanthracene (P227605), a perfluorinated graded index polymer optical fiber (PFGI-POF) component.