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α-Phenylbenzolacetylchlorid
2,2-Diphenylacetyl chloride · Dpac · EOS-61468 · Diphenylacetyl · TIMTEC-BB SBB006586 · diphenyl-acetylchlorid · DIPHENYLACETYL CHLORIDE · DiphenylacetylChloride>diphenylaceticacidchloride
Identifikatoren & physikalische Daten
| CAS No. | 1871-76-7 |
|---|---|
| Summenformel | C14H11ClO |
| Durchschnittliche Molmasse | 230,69 g/mol |
| Monoisotopische Masse | 230,04984265 g/mol |
| SMILES | O=C(Cl)C(c1ccccc1)c1ccccc1 |
| InChIKey | MSYLETHDEIJMAF-UHFFFAOYSA-N |
| PubChem CID | 74637 |
| EC No. | 217-493-5 |
| DTXSID | DTXSID30171979 |
| Lokaler Name | α-Phenylbenzolacetylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 209 |
| Schmelzpunkt | 49-53 °C (lit.) |
| Siedepunkt | 175-176 °C/17 mmHg (lit.) |
| Dichte | 1.1223 (rough estimate) |
| Brechungsindex | 1.5260 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Slightly yellow |
| Merck | 14,3316 |
| BRN | 1211588 |
| InChI | InChI=1S/C14H11ClO/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H |
| InChIKey | MSYLETHDEIJMAF-UHFFFAOYSA-N |
| SMILES | C(C(Cl)=O)(C1C=CC=CC=1)C1=CC=CC=C1 |
| CAS Datenbank | 1871-76-7(CAS DataBase Reference) |
| NIST chemische Informationen | Diphenylacetyl chloride(1871-76-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 10-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21746 |
| Hazard Classes and Categories | Skin Corr. 1C (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29163900 |
| RTECS-Nr. | AO6750000 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Diphenylacetyl Chloride is a reagent used in the synthesis of β-lactam estrogen receptor antagonists promoting antiproliferative and anti-tubulin polymerizatiion activity.
Herstellung & Synthese
synthetische
Diphenylacetyl Chloride is prepared by the action of Thionyl Chloride on diphenylacetic acid.