HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Trifluoroacetylprolyl chloride
N-trifluoroacetylprolyl chloride · N-TRIFLUOROACETYL-L-PROLYL CHLORIDE · (S)-(-)-N-(TRIFLUOROACETYL)PROLYL CHLORIDE · 1-(Trifluoroacetyl)pyrrolidine-2-carbonyl Chloride · (s)-(-)-n-(trifluoroacetyl)prolyl chloride solution · (S)-(?)-N-(Trifluoroacetyl)pyrrolidine-2-carbonyl solution · S(-)-N-(TRIFLUOROACETYL)PROLYL CHLORIDE SOL. 0.1M IN CH2CL2 · (S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl chloride
Identifikatoren & physikalische Daten
| CAS No. | 36724-68-2 |
|---|---|
| Summenformel | C7H7ClF3NO2 |
| Durchschnittliche Molmasse | 229,58 g/mol |
| Monoisotopische Masse | 229,0117408 g/mol |
| SMILES | O=C(Cl)[C@@H]1CCCN1C(=O)C(F)(F)F |
| InChIKey | NUOYJPPISCCYDH-BYPYZUCNSA-N |
| PubChem CID | 3082449 |
| EC No. | 624-452-9 |
| DTXSID | DTXSID90190186 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 266 |
| Siedepunkt | 306.2±42.0 °C(Predicted) |
| Dichte | 1.308 g/mL at 25 °C |
| Brechungsindex | n20/D 1.424 |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | -4.06±0.40(Predicted) |
| BRN | 480791 |
| InChI | 1S/C7H7ClF3NO2/c8-5(13)4-2-1-3-12(4)6(14)7(9,10)11/h4H,1-3H2/t4-/m0/s1 |
| InChIKey | NUOYJPPISCCYDH-BYPYZUCNSA-N |
| SMILES | FC(F)(F)C(=O)N1CCC[C@H]1C(Cl)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 1593 6.1/PG 3 |
| R-Sätze (R) | 40-52-67-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 23-24/25-36/37-26 |
| Gefahrenklasse | 8Carc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects |
Anwendungen & Verwendung
Verwenden
(S)-()-N-(Trifluoroacetyl)pyrrolidine-2-carbonyl chloride can be used as a chiral derivatization reagent:In the chiral separation of psychoactive, cathinone- and amphetamine-related drugsusing GC-MS technique.In the estimation of cathinone related drug enantiomers in biological samples like urine and plasma using GC-MS technique.