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Trifluoromethylpyridine
2-(CF3)-Pyridine · α,α,α-trifluoro-2-picoline · à,à,à-trifluoro-2-picoline · 2-(TRIFLUOROMETHYL)PYRIDINE · Pyridine, 2-(trifluoromethyl)- · 2-(TrifluoroMethyl)pyridine, 95+% · 2-trifluoromethylpyridine UNDRE RD · ALPHA,ALPHA,ALPHA-TRIFLUORO-2-PICOLINE
Identifikatoren & physikalische Daten
| CAS No. | 368-48-9 |
|---|---|
| Summenformel | C6H4F3N |
| Durchschnittliche Molmasse | 147,1 g/mol |
| Monoisotopische Masse | 147,02958379 g/mol |
| SMILES | FC(F)(F)c1ccccn1 |
| InChIKey | ATRQECRSCHYSNP-UHFFFAOYSA-N |
| PubChem CID | 136199 |
| EC No. | 626-032-0 |
| DTXSID | DTXSID50190268 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 110 |
| Siedepunkt | 139-141 °C |
| Dichte | 1.275 g/mL at 25 °C |
| Brechungsindex | n20/D 1.419 |
| Flammpunkt | 109 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Soluble in most organic solvents. |
| pKa (Säurekonstante) | 0.60±0.12(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| BRN | 3112 |
| InChI | InChI=1S/C6H4F3N/c7-6(8,9)5-3-1-2-4-10-5/h1-4H |
| InChIKey | ATRQECRSCHYSNP-UHFFFAOYSA-N |
| SMILES | C1(C(F)(F)F)=NC=CC=C1 |
| CAS Datenbank | 368-48-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2-(CF3)-pyridine(368-48-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 2933399990 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi,F |
| hazard_note | Flammable/Irritant |
| Sicherheitshinweise (S) | 16-26-36 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Lithiation with n-BuLi/LiOCH2CH2NMe2takes place at the 6-position, affording access to 6-substituted derivatives. With LiTMP. It is a building block in heterocycle synthesis.