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Cyclopropylphenylketon
Phenyl cyclopropyl ketone · BENZOYLCYCLOPROPANE · Cyclopropyl phenyl k · CYCLOPROPYL PHENYL KETONE · Ketone, cyclopropyl phenyl · Cyclopropylphenylketone,97% · Methanone,cyclopropylphenyl- · CYCLOPROPYL-PHENYL-METHANONE
Identifikatoren & physikalische Daten
| CAS No. | 3481-02-5 |
|---|---|
| Summenformel | C10H10O |
| Durchschnittliche Molmasse | 146,19 g/mol |
| Monoisotopische Masse | 146,07316494 g/mol |
| SMILES | O=C(c1ccccc1)C1CC1 |
| InChIKey | PJRHFTYXYCVOSJ-UHFFFAOYSA-N |
| PubChem CID | 77029 |
| EC No. | 222-458-2 |
| DTXSID | DTXSID30188345 |
| Lokaler Name | Cyclopropylphenylketon |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 152 |
| Stoffklassen | Other Classes -> Aromatic Ketones |
| SpringerMaterials Properties | Chemical shift |
| Physical Description | Colorless or pale yellow liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | 7-9 °C(lit.) |
| Siedepunkt | 121-123 °C15 mm Hg(lit.) |
| Dichte | 1.058 g/mL at 25 °C(lit.) |
| Dampfdichte | 5 (vs air) |
| Brechungsindex | n20/D 1.553(lit.) |
| Flammpunkt | 195 °F |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Löslichkeit | Insoluble in water. |
| BRN | 1860145 |
| InChI | 1S/C10H10O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| InChIKey | PJRHFTYXYCVOSJ-UHFFFAOYSA-N |
| SMILES | O=C(C1CC1)c2ccccc2 |
| CAS Datenbank | 3481-02-5(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclopropyl phenyl ketone(3481-02-5) |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Methanone, cyclopropylphenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause irritation[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2914390090 |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Cyclopropyl phenyl ketone is used to prepare α-cyclopropylstyrene by the Wittig reaction in dimethyl sulfoxide. It is also used as starting reagent during the (Z)-titanium enolate formation from cyclopropyl ketones via TiCl4-n-Bu4NI-induced ring opening reaction.