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3,3,3-Trifluoropropanal
3,3,3-TRIFLUOROPROPIONALDEHYDE · 3,3,3-Trifluoropropanal hydrate · AKOS B014012 · ART-CHEM-BB B014012 · 3,3,3-Trifluoropropal · 3,3,3-TRIFLUOROPROPANAL · 3,3,3-trifluoro-propana · Propanal, 3,3,3-trifluoro-
Identifikatoren & physikalische Daten
| CAS No. | 460-40-2 |
|---|---|
| Summenformel | C3H3F3O |
| Durchschnittliche Molmasse | 112,05 g/mol |
| Monoisotopische Masse | 112,01359938 g/mol |
| SMILES | O=CCC(F)(F)F |
| InChIKey | UTMIEQASUFFADK-UHFFFAOYSA-N |
| PubChem CID | 68028 |
| EC No. | 671-022-1 |
| DTXSID | DTXSID3073189 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 65,1 |
| Siedepunkt | 56°C |
| Dichte | 1.301 |
| Brechungsindex | 1.309 |
| Lagerbedingungen | -20°C, stored under nitrogen |
| InChI | InChI=1S/C3H3F3O/c4-3(5,6)1-2-7/h2H,1H2 |
| InChIKey | UTMIEQASUFFADK-UHFFFAOYSA-N |
| SMILES | C(=O)CC(F)(F)F |
| CAS Datenbank | 460-40-2(CAS DataBase Reference) |
| EPA chemische Informationen | Propanal, 3,3,3-trifluoro- (460-40-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (20%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Propanal, 3,3,3-trifluoro- |
| Hazard Classes and Categories | Acute Tox. 4 (80%) |
| UN-Transportnummer | 1993 |
| RTECS-Nr. | UE2801000 |
| R-Sätze (R) | 10 |
| Gefahrensymbole | Xi,F |
| hazard_note | Flammable/Irritant |
| Sicherheitshinweise (S) | 16 |
Anwendungen & Verwendung
Verwenden
3,3,3-Trifluoropropanal is used as a reagent for organic synthesis or as a battery material.