HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Flurothyl
HFE · FLUROTHYL · 2,2,2-TRIFLUOROETHYL ETHER · SF6539 · SKL232 · Idoklon · skf6539 · Flurotyl
Identifikatoren & physikalische Daten
| CAS No. | 333-36-8 |
|---|---|
| Summenformel | C4H4F6O |
| Durchschnittliche Molmasse | 182,06 g/mol |
| Monoisotopische Masse | 182,01663407 g/mol |
| SMILES | FC(F)(F)COCC(F)(F)F |
| InChIKey | KGPPDNUWZNWPSI-UHFFFAOYSA-N |
| PubChem CID | 9528 |
| ChEMBL | CHEMBL477874 |
| ChEBI | CHEBI:134824 |
| EC No. | 626-793-9 |
| DTXSID | DTXSID5046516 |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 98,7 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Phase diagram |
| Schmelzpunkt | 122.5-12325°C |
| Collision Cross Section | 136.5 Ų [M+K]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Siedepunkt | 62-63 °C (lit.) |
| Dichte | 1.404 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.300(lit.) |
| Flammpunkt | 35 °F |
| Lagerbedingungen | Flammables area |
| Löslichkeit | DMSO : ≥ 125 mg/mL (686.59 mM) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Wichte | 1.41 |
| Merck | 14,4201 |
| BRN | 1811927 |
| Henry-Konstante | 9.2×10-3 mol/(m3Pa) at 25℃, Fukuchi et al. (2002) |
| InChI | InChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2 |
| InChIKey | KGPPDNUWZNWPSI-UHFFFAOYSA-N |
| SMILES | O(CC(F)(F)F)CC(F)(F)F |
| CAS Datenbank | 333-36-8(CAS DataBase Reference) |
| EPA chemische Informationen | HFE-356mff2 (333-36-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3271 3/PG 2 |
| Zollcode | 29091990 |
| RTECS-Nr. | KN3675000 |
| R-Sätze (R) | 11-36/37/38 |
| Gefahrensymbole | F,Xi,T |
| hazard_note | Flammable/Toxic/Convulsant |
| Sicherheitshinweise (S) | 16-26-36 |
| Gefahrenklasse | 3.1Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
5HT agonist