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4-Ethylbenzoylchlorid
SKL1319 · 4-Ethylbenzoyl · TIMTEC-BB SBB006540 · ETHYLBENZOYL CHLORIDE · P-ETHYLBENZOYL CHLORIDE · 4-ETHYLBENZOYL CHLORIDE · Benzoyl chloride, 4-ethyl- · 4-Ethylbenzoyl chloride,97%
Identifikatoren & physikalische Daten
| CAS No. | 16331-45-6 |
|---|---|
| Summenformel | C9H9ClO |
| Durchschnittliche Molmasse | 168,62 g/mol |
| Monoisotopische Masse | 168,03419259 g/mol |
| SMILES | CCc1ccc(C(=O)Cl)cc1 |
| InChIKey | AVTLLLZVYYPGFX-UHFFFAOYSA-N |
| PubChem CID | 85368 |
| EC No. | 240-404-6 |
| DTXSID | DTXSID80167564 |
| Lokaler Name | 4-Ethylbenzoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 136 |
| SpringerMaterials Properties | Coriolis coupling |
| Siedepunkt | 235-236 °C(lit.) |
| Dichte | 1.147 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.5479(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | RT, stored under nitrogen |
| Aggregatzustand | Liquid |
| Wichte | 1.147 |
| Farbe | Clear light yellow to yellow |
| BRN | 2206041 |
| InChI | 1S/C9H9ClO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3 |
| InChIKey | AVTLLLZVYYPGFX-UHFFFAOYSA-N |
| SMILES | CCc1ccc(cc1)C(Cl)=O |
| CAS Datenbank | 16331-45-6(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Ethylbenzoyl chloride(16331-45-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (56.1%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 98 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (56.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29163900 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45-25 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Ethylbenzoyl chloride has been used in the preparation of:N-benzoyl-4-ethylbenzamideN-(4-diethylaminobenzoyl)-2-methoxybenzenesulfonamide