HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3'-(Trifluormethyl)acetophenon
3-(TRIFLUOROMETHYL)ACETOPHENONE · 1-(3-TRIFLUOROMETHYL-PHENYL)-ETHANONE · 3-ACETYLBENZOFLUORIDE · 3-Trifluoroacetophenone · 3-ACETYLBENZOTRIFLUORIDE · 3-trifluoromethylhypnone · 3-Trifludromethylacetophen · 3-trifluoromethylphenacetone
Identifikatoren & physikalische Daten
| CAS No. | 349-76-8 |
|---|---|
| Summenformel | C9H7F3O |
| Durchschnittliche Molmasse | 188,15 g/mol |
| Monoisotopische Masse | 188,0448995 g/mol |
| SMILES | CC(=O)c1cccc(C(F)(F)F)c1 |
| InChIKey | ABXGMGUHGLQMAW-UHFFFAOYSA-N |
| PubChem CID | 67682 |
| EC No. | 206-490-4 |
| DTXSID | DTXSID3059844 |
| Lokaler Name | 3'-(Trifluormethyl)acetophenon |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 198 |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Siedepunkt | 198-200 °C(lit.) |
| Dichte | 1.235 g/mL at 25 °C(lit.) |
| Dampfdruck | 35Pa at 25℃ |
| Brechungsindex | n20/D 1.4611(lit.) |
| Flammpunkt | 183 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Red to Green |
| Wichte | 1.235 |
| Löslichkeit | 620mg/L at 25℃ |
| BRN | 640151 |
| InChI | 1S/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H3 |
| InChIKey | ABXGMGUHGLQMAW-UHFFFAOYSA-N |
| SMILES | CC(=O)c1cccc(c1)C(F)(F)F |
| LogP (Verteilungskoeffizient) | 2.55 at 25℃ |
| CAS Datenbank | 349-76-8(CAS DataBase Reference) |
| NIST chemische Informationen | 3-CF3-C6H4-COCH3(349-76-8) |
| EPA chemische Informationen | Ethanone, 1-[3-(trifluoromethyl)phenyl]- (349-76-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (55.2%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 87 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 27-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11747 |
| Hazard Classes and Categories | Skin Irrit. 2 (55.2%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29147090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3''-(Trifluoromethyl)acetophenone is a reagent used in the stabilization of endosomal-toll-like receptor TRL8 creating a sort of inhibitory activity.