HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(α,α,α-Trifluor-m-tolyl)piperidin-4-ol
NSC 83235 · MLS000080732 · SMR000035341 · EINECS 216-863-3 · TIMTEC-BB SBB003184 · 4-(3-Trifluoromethylphenyl)-4- · 2-methylthiazole-25-carboxylic acid · 4-(3-trifuoromethyl)phenyl-4-piperidinol
Identifikatoren & physikalische Daten
| CAS No. | 2249-28-7 |
|---|---|
| Summenformel | C12H14F3NO |
| Durchschnittliche Molmasse | 245,24 g/mol |
| Monoisotopische Masse | 245,10274873 g/mol |
| SMILES | OC1(c2cccc(C(F)(F)F)c2)CCNCC1 |
| InChIKey | ILKPZCKFWLTEBQ-UHFFFAOYSA-N |
| PubChem CID | 75255 |
| ChEMBL | CHEMBL1624025 |
| EC No. | 218-840-3 |
| DTXSID | DTXSID50177014 |
| Lokaler Name | 4-(α,α,α-Trifluor-m-tolyl)piperidin-4-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 261 |
| Schmelzpunkt | 91-95 °C |
| Siedepunkt | 301°C |
| Dichte | 1.253 |
| Flammpunkt | 136°C |
| Lagerbedingungen | 2-8°C, protect from light |
| Aggregatzustand | Fine Crystalline Powder |
| pKa (Säurekonstante) | 13.94±0.20(Predicted) |
| Farbe | Light beige |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (20%) |
| Zollcode | 29333999 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 37/39-26-36 |
Anwendungen & Verwendung
Verwenden
4-[3-(Trifluoromethyl)phenyl]-4-piperidinol can be used to synthesize antagonists for CCR1 receptor. It can also be used to synthesize (bisarylmethoxy)butylpiperidine analogues as neurotransmitter transporter inhibitors. It is also an intermediate for xaliproden [135354-02-8].