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2,4,6-Tris(trifluormethyl)-1,3,5-triazin
TTT · LABOTEST-BB LT004516 · LABOTEST-BB LT00451669 · TRIS(TRIFLUOROMETHYL)-S-TRIAZINE · TRIS(TRIFLUOROMETHYL)-1,3,5-TRIAZINE · Tris(trifluoromethyl)-s-triazine 97% · 2,4,6-tris(trifluoromethyl)-s-triazin · 2,4,6-Tris(trifluoromethyl)-s-triazine
Identifikatoren & physikalische Daten
| CAS No. | 368-66-1 |
|---|---|
| Summenformel | C6F9N3 |
| Durchschnittliche Molmasse | 285,07 g/mol |
| Monoisotopische Masse | 284,99485047 g/mol |
| SMILES | FC(F)(F)c1nc(C(F)(F)F)nc(C(F)(F)F)n1 |
| InChIKey | LSGBKABSSSIRJF-UHFFFAOYSA-N |
| PubChem CID | 9715 |
| EC No. | 206-709-3 |
| DTXSID | DTXSID20190270 |
| Lokaler Name | 2,4,6-Tris(trifluormethyl)-1,3,5-triazin |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 12 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 233 |
| PFAS | PFAS -> Agilent Tune Mix |
| Collision Cross Section | 143.7 Ų [M+CH3O]- [CCS Type: DTBuffer gas: N2Ionization: APCI-Dataset: PFAS] |
| Schmelzpunkt | -24.7°C |
| Siedepunkt | 98.3-98.5 °C/748 mmHg (lit.) |
| Dichte | 1.596 g/mL at 25 °C |
| Brechungsindex | n20/D 1.313(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly) |
| pKa (Säurekonstante) | -4.88±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| BRN | 302339 |
| Stabilität | Volatile |
| InChI | 1S/C6F9N3/c7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15 |
| InChIKey | LSGBKABSSSIRJF-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1nc(nc(n1)C(F)(F)F)C(F)(F)F |
| CAS Datenbank | 368-66-1(CAS DataBase Reference) |
| NIST chemische Informationen | 1,3,5-Triazine, 2,4,6-tris(trifluoromethyl)-(368-66-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (79.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (79.6%) |
| F | 1-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2810 6.1/PG 2 |
| Zollcode | 29336980 |
| RTECS-Nr. | XZ2800000 |
| R-Sätze (R) | 20/21/22-36/37-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2STOT SE 3 |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
2,4,6-Tris(trifluoromethyl)-1,3,5-triazine is used as a secondary battery electrolyte in power storage systems.