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2-Hydroxy-5-(trifluoromethyl)pyridine
5-(TRIFLUOROMETHYL)-2-PYRIDINOL · 2-Hydroxy-5-(t · BUTTPARK 24\01-67 · Fampridine Impurity 216 · 5-Trifluoromethyl-Pyridin-2- · Hydroxy-5-(trifluoroMethyl)pyr · 5-Trifluoromethyl-pyridin-2-ol · 5-(Trifluoromethyl)-2-pyridone
Identifikatoren & physikalische Daten
| CAS No. | 33252-63-0 |
|---|---|
| Summenformel | C6H4F3NO |
| Durchschnittliche Molmasse | 163,1 g/mol |
| Monoisotopische Masse | 163,02449841 g/mol |
| SMILES | O=c1ccc(C(F)(F)F)c[nH]1 |
| InChIKey | BYRJSCNPUHYZQE-UHFFFAOYSA-N |
| PubChem CID | 147443 |
| ChEMBL | CHEMBL5424775 |
| EC No. | 627-625-7 |
| DTXSID | DTXSID8044387 |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 239 |
| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| Schmelzpunkt | 145-149 °C (lit.) |
| Siedepunkt | 221.2±40.0 °C(Predicted) |
| Dichte | 1.398±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Soluble), Ethanol (Sparingly), Methanol (Sightly) |
| pKa (Säurekonstante) | 9.55±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to beige |
| InChI | InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11) |
| InChIKey | BYRJSCNPUHYZQE-UHFFFAOYSA-N |
| SMILES | C1(=O)NC=C(C(F)(F)F)C=C1 |
| CAS Datenbank | 33252-63-0(CAS DataBase Reference) |
| EPA chemische Informationen | 2(1H)-Pyridinone, 5-(trifluoromethyl)- (33252-63-0) |
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 77 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Regulation (EC) No 1107/2009 (amended) |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38-65-20/21/22-20/21 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Hydroxy-5-(trifluoromethyl)pyridine (cas# 33252-63-0) is a compound useful in organic synthesis.