HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,1,1-Trifluor-2-methylpropan-2-ol
SKL067 · NSC 3633 · 2,2,2-Trifluoro-tert-Butanol · 2-Trifluoromethylisopropanol · Trifluoro-tert-butyl alcohol · 2-Trifluoromethyl-2-propanol · 2-(TRIFLUOROMETHYL)-PROPANOL-2 · 2-(TRIFLUOROMETHYL)PROPAN-2-OL
Identifikatoren & physikalische Daten
| CAS No. | 507-52-8 |
|---|---|
| Summenformel | C4H7F3O |
| Durchschnittliche Molmasse | 128,09 g/mol |
| Monoisotopische Masse | 128,04489933 g/mol |
| SMILES | CC(C)(O)C(F)(F)F |
| InChIKey | OCGWWLDZAFOHGD-UHFFFAOYSA-N |
| PubChem CID | 68182 |
| EC No. | 208-075-3 |
| DTXSID | DTXSID80198752 |
| Lokaler Name | 1,1,1-Trifluor-2-methylpropan-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 83 |
| Schmelzpunkt | 53℃ |
| Siedepunkt | 83 °C (lit.) |
| Dichte | 1.17 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.3335(lit.) |
| Flammpunkt | 59 °F |
| pKa (Säurekonstante) | 12.60±0.29(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| BRN | 1736196 |
| InChI | 1S/C4H7F3O/c1-3(2,8)4(5,6)7/h8H,1-2H3 |
| InChIKey | OCGWWLDZAFOHGD-UHFFFAOYSA-N |
| SMILES | CC(C)(O)C(F)(F)F |
| CAS Datenbank | 507-52-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (97.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]H315 (14.9%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (14.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (14.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (97.9%)Skin Irrit. 2 (14.9%)Eye Irrit. 2A (14.9%)STOT SE 3 (14.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1987 |
| Zollcode | 2905599890 |
| R-Sätze (R) | 11 |
| Gefahrensymbole | F |
| hazard_note | Flammable |
| Sicherheitshinweise (S) | 16-23-36 |
| Gefahrenklasse | 3Flam. Liq. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-Trifluoromethyl-2-propanol may be employed as a solvent for the preparation of [18F]fluorothymidine. It may also be used in the synthesis of [2-(trifluoromethyl)-2-propyl nitrate] through nitration in nitric acid/trifluoroacetic anhydride.