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2,4'-Dichlorbenzophenon
dichlorobenzophenone · 2,4'-DCBP · o,p’-DCBP · C13H8Cl2O · 2,4'-Dichlorobenzoph · LABOTEST-BB LT00455493 · Bifeprunox Impurity 61 · 2,4′-Dichlorbenzophenon
Identifikatoren & physikalische Daten
| CAS No. | 85-29-0 |
|---|---|
| Summenformel | C13H8Cl2O |
| Durchschnittliche Molmasse | 251,1 g/mol |
| Monoisotopische Masse | 249,99522024 g/mol |
| SMILES | O=C(c1ccc(Cl)cc1)c1ccccc1Cl |
| InChIKey | YXMYPHLWXBXNFF-UHFFFAOYSA-N |
| PubChem CID | 66558 |
| ChEMBL | CHEMBL1862965 |
| EC No. | 201-596-7 |
| DTXSID | DTXSID6058920 |
| Lokaler Name | 2,4'-Dichlorbenzophenon |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 246 |
| SpringerMaterials Properties | Fusion temperature |
| Schmelzpunkt | 64°C |
| Siedepunkt | 214 °C / 22mmHg |
| Dichte | 1.3930 |
| Brechungsindex | 1.5555 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Soluble), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 1959090 |
| Henry-Konstante | 9.2×100 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | InChI=1S/C13H8Cl2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H |
| InChIKey | YXMYPHLWXBXNFF-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC=C1Cl)(C1=CC=C(Cl)C=C1)=O |
| CAS Datenbank | 85-29-0(CAS DataBase Reference) |
| NIST chemische Informationen | 2,4'-Dichlorobenzophenone(85-29-0) |
| EPA chemische Informationen | Methanone, (2-chlorophenyl)(4-chlorophenyl)- (85-29-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 88.1% (37 of 42) of all reports.WarningH315 (11.9%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Methanone, (2-chlorophenyl)(4-chlorophenyl)-Methanone, (2-chlorophenyl)(4-chlorophenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Irrit. 2 (11.9%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29143990 |
| R-Sätze (R) | 36/37/38-38-37-36 |
| Sicherheitshinweise (S) | 26-36/37/39-37 |
Anwendungen & Verwendung
Verwenden
2,4''-Dichlorobenzophenone is used in the synthesis of triarylcarbinol analogs of fenarimol as potent inhibitors of Trypanosoma cruzi. It can also be used to prepare fatty acid amide hydrolase inhibitors.