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3,4,5,6-Tetrafluorbenzol-1,2-dicarbonitril
TFPN · TETRAFLUOROPHTHALONITRILE · 3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrile · Tetrafl · onitriL · uorophthaL · Tetrafluorophthalonitrile98% · Tetrafluoro-o-phthalonitrile
Identifikatoren & physikalische Daten
| CAS No. | 1835-65-0 |
|---|---|
| Summenformel | C8F4N2 |
| Durchschnittliche Molmasse | 200,09 g/mol |
| Monoisotopische Masse | 199,99976088 g/mol |
| SMILES | N#Cc1c(F)c(F)c(F)c(F)c1C#N |
| InChIKey | OFLRJMBSWDXSPG-UHFFFAOYSA-N |
| PubChem CID | 74600 |
| ChEMBL | CHEMBL4949346 |
| EC No. | 217-400-8 |
| DTXSID | DTXSID6075142 |
| Lokaler Name | 3,4,5,6-Tetrafluorbenzol-1,2-dicarbonitril |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 47,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 282 |
| Schmelzpunkt | 81-86 °C(lit.) |
| Siedepunkt | 274.2±40.0 °C(Predicted) |
| Dichte | 1.54±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol,Acetone,Ethanol |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| InChI | InChI=1S/C8F4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11 |
| InChIKey | OFLRJMBSWDXSPG-UHFFFAOYSA-N |
| SMILES | C1(C#N)=C(F)C(F)=C(F)C(F)=C1C#N |
| CAS Datenbank | 1835-65-0(CAS DataBase Reference) |
| NIST chemische Informationen | Tetrafluorophthalonitrile(1835-65-0) |
| EPA chemische Informationen | Tetrafluorophthalonitrile (1835-65-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3439 |
| Zollcode | 29269090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant/Lachrymator |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1(b)Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Tetrafluorophthalonitrile was used in the synthesis of dichloro-subphthalocyanine dimers.