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p-Phenylbenzoylchlorid
4-PHENYLBENZOYL CHLORIDE · P-PHENYLBENZOYL CHLORIDE · Biphenyl-4-formyl Chloro · 4-PhenylbenzoylChloride>Biphenyl-4-formyl chloride · 4-BIPHENYLCARBONYL CHLORIDE · Bisphenyl-4-carbonychloride · BIPHENYL-4-CARBONYL CHLORIDE · Biphenyl-4-carboxyl chloride
Identifikatoren & physikalische Daten
| CAS No. | 14002-51-8 |
|---|---|
| Summenformel | C13H9ClO |
| Durchschnittliche Molmasse | 216,66 g/mol |
| Monoisotopische Masse | 216,03419259 g/mol |
| SMILES | O=C(Cl)c1ccc(-c2ccccc2)cc1 |
| InChIKey | JPVUWCPKMYXOKW-UHFFFAOYSA-N |
| PubChem CID | 84151 |
| EC No. | 237-804-8 |
| DTXSID | DTXSID5065693 |
| Lokaler Name | p-Phenylbenzoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 213 |
| SpringerMaterials Properties | Chemical structure |
| Schmelzpunkt | 110-112 °C (lit.) |
| Siedepunkt | 160 °C / 2mmHg |
| Dichte | 1.1459 (rough estimate) |
| Brechungsindex | 1.5260 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | White to yellow |
| Löslichkeit | HYDROLYSIS |
| BRN | 472842 |
| InChI | 1S/C13H9ClO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H |
| InChIKey | JPVUWCPKMYXOKW-UHFFFAOYSA-N |
| SMILES | ClC(=O)c1ccc(cc1)-c2ccccc2 |
| CAS Datenbank | 14002-51-8(CAS DataBase Reference) |
| EPA chemische Informationen | [1,1'-Biphenyl]-4-carbonyl chloride (14002-51-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 03-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24575 |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 21-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29163990 |
| R-Sätze (R) | 14-34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Lachrymatory/Moisture Sensitive |
| Sicherheitshinweise (S) | 26-36/37/39-43-45-25 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Biphenyl-4-carbonyl chloride was used in the preparation of a novel thiourea compound, N-(6-methyl pyridin-2-yl-carbamothioyl)biphenyl-4-carboxamide. It was also used in the preparation of 5-CF3-oxazole analog, 2-{4-[2-(2-biphenyl-4-yl-5-trifluoromethyl-oxazol-4-yl)-ethoxy]-phenoxy}-2-methyl-propionic acid.