HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3',5'-Difluoroacetophenone
1-(3,5-difluorophenyl)ethan-1-one · 3,5-DIFLUOROACETOPHENONE · CAS:123577-99-1 · 3', 5' -difluorophenone · 3',5'-Difluoroacetophenone · 3',5'-Difluoroacetophenone>3',5'-Difluoroacetophenone98% · 3′,5′-Difluoroacetophenone,97% · 3',5'-Difluoroacetophenone 98%
Identifikatoren & physikalische Daten
| CAS No. | 123577-99-1 |
|---|---|
| Summenformel | C8H6F2O |
| Durchschnittliche Molmasse | 156,13 g/mol |
| Monoisotopische Masse | 156,03867125 g/mol |
| SMILES | CC(=O)c1cc(F)cc(F)c1 |
| InChIKey | OXJLDNSPGPBDCP-UHFFFAOYSA-N |
| PubChem CID | 518596 |
| EC No. | 626-379-8 |
| DTXSID | DTXSID90333793 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 148 |
| Schmelzpunkt | 34-38 °C(lit.) |
| Siedepunkt | 94 °C |
| Dichte | 1.206±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.4876 |
| Flammpunkt | 180 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Low Melting Solid |
| Farbe | White to slightly yellow |
| BRN | 6798740 |
| InChI | InChI=1S/C8H6F2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3 |
| InChIKey | OXJLDNSPGPBDCP-UHFFFAOYSA-N |
| SMILES | C(=O)(C1=CC(F)=CC(F)=C1)C |
| CAS Datenbank | 123577-99-1(CAS DataBase Reference) |
| NIST chemische Informationen | 3,5-Difluoroacetophenone(123577-99-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29147000 |
| R-Sätze (R) | 36/37/38-R36/37/38-36-26 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-S36-S26-36/37/38 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3′,5′-Difluoroacetophenone (3,5-Difluoroacetophenone) may be used to synthesize:(E)-3-(4-(1,5,9-trithia-13-azacyclohexadecan-13-yl)-phenyl)-1-(3,5-difluorophenyl)prop-2-en-1-one1,3,5-triarylpyrazoline fluorophores containing a 16-membered thiazacrown ligand(±)-fluorinated-1-(3-morpholin-4-yl-phenyl)ethylamine(E)-1-(3,5-difluorophenyl)-3-(2,4-dimethoxyphenyl) prop-2-en-1-one1-(3,5-difluorophenyl)-4,4,4-trifluorobutane-1,3-dione