HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Fluoracetophenon
1-(3-FLUOROPHENYL)ETHAN-1-ONE · 1-(3-FLUOROPHENYL)ETHANONE · 3-FLUOROACETOPHENONE · 3-fluorohypnone · 3-fluoroacetohenone · M-FLUOROACETOPHENONE · 3'-Fluoroacetophenone · Acetophenone, 3'-fluoro-
Identifikatoren & physikalische Daten
| CAS No. | 455-36-7 |
|---|---|
| Summenformel | C8H7FO |
| Durchschnittliche Molmasse | 138,14 g/mol |
| Monoisotopische Masse | 138,04809306 g/mol |
| SMILES | CC(=O)c1cccc(F)c1 |
| InChIKey | HCEKGPAHZCYRBZ-UHFFFAOYSA-N |
| PubChem CID | 9967 |
| EC No. | 207-245-4 |
| DTXSID | DTXSID8073186 |
| Lokaler Name | 3-Fluoracetophenon |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 133 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | -3°C |
| Siedepunkt | 81 °C9 mm Hg(lit.) |
| Dichte | 1.126 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.509(lit.) |
| Flammpunkt | 177 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.126 |
| Farbe | Clear colorless to yellow |
| Löslichkeit | Slightly soluble in water. |
| BRN | 907041 |
| InChI | 1S/C8H7FO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3 |
| InChIKey | HCEKGPAHZCYRBZ-UHFFFAOYSA-N |
| SMILES | CC(=O)c1cccc(F)c1 |
| CAS Datenbank | 455-36-7(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanone, 1-(3-fluorophenyl)-(455-36-7) |
| EPA chemische Informationen | Ethanone, 1-(3-fluorophenyl)- (455-36-7) |
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 47 reports by companies from 6 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 | 29143990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-36/37/39-27 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3'-Fluoroacetophenone is used as raw material and intermediate in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs.