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HCID 18946Erstellt: 27. Oktober 2026
Bis(4-chlorphenyl)ethandion
p,p'-Dichlorobenzil · 4,4'-Dichlorobenzil · 4,4'-Dichlorobibenzoyl · 4,4'-Dichlorobenzil>4,4'-Dichlorodibenzoyl · Di(4-chlorophenyl) diketone · Bis(4-chlorophenyl) diketone · Bis(p-chlorophenyl)ethanedione · bis(4-chlorophenyl)ethanedione
https://huagongshe.com/de/chemical/18946
Identifikatoren & physikalische Daten
| CAS No. | 3457-46-3 |
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| Summenformel | C14H8Cl2O2 |
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| Durchschnittliche Molmasse | 279,1 g/mol |
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| Monoisotopische Masse | 277,99013486 g/mol |
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| SMILES | O=C(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |
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| InChIKey | XMAWUPHYEABFDR-UHFFFAOYSA-N |
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| PubChem CID | 18946 |
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| ChEMBL | CHEMBL192139 |
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| EC No. | 222-387-7 |
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| DTXSID | DTXSID4063038 |
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| Lokaler Name | Bis(4-chlorphenyl)ethandion |
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Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
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| Polarare Oberfläche (TPSA) | 34,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 282 |
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| Schmelzpunkt | 194-197°C |
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| Siedepunkt | 220°C/3mmHg(lit.) |
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| Dichte | 1.366±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| Farbe | Light yellow to Yellow to Orange |
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| InChI | InChI=1S/C14H8Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H |
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| InChIKey | XMAWUPHYEABFDR-UHFFFAOYSA-N |
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| SMILES | C(C1=CC=C(Cl)C=C1)(=O)C(C1=CC=C(Cl)C=C1)=O |
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| CAS Datenbank | 3457-46-3(CAS DataBase Reference) |
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| NIST chemische Informationen | P-p'-dichloro-benzil(3457-46-3) |
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| EPA chemische Informationen | 4,4'-Dichlorobenzil (3457-46-3) |
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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)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2917.39.7000 |
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| Gefahrensymbole | Xn |
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