HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4,4'-Dichlorbenzophenon
4'-DBP · usafdo-4 · 4,4'-DBP · 4,4'-DCBP · USAF do-4 · AKOS 94189 · 4,4'-DichL · DCBP Standard
Identifikatoren & physikalische Daten
| CAS No. | 90-98-2 |
|---|---|
| Summenformel | C13H8Cl2O |
| Durchschnittliche Molmasse | 251,1 g/mol |
| Monoisotopische Masse | 249,99522024 g/mol |
| SMILES | O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |
| InChIKey | OKISUZLXOYGIFP-UHFFFAOYSA-N |
| PubChem CID | 7034 |
| ChEMBL | CHEMBL1870191 |
| ChEBI | CHEBI:194706 |
| EC No. | 202-030-1 |
| DTXSID | DTXSID3037626 |
| Lokaler Name | 4,4'-Dichlorbenzophenon |
Chemische & physikalische Eigenschaften
| XLogP | 4,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 214 |
| Stoffklassen | Other Classes -> Benzophenones |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Pestizide | Pesticide degradation product |
| Physical Description | White or off-white crystalline powder[Alfa Aesar MSDS] |
| Collision Cross Section | 148.55 Ų [M]+ [CCS Type: TWBuffer gas: N2Ionization: GC-APCI+] |
| Schmelzpunkt | 144-146 °C (lit.) |
| Siedepunkt | 353 °C (lit.) |
| Dichte | 1,45 g/cm3 |
| Brechungsindex | 1.5555 (estimate) |
| Flammpunkt | 352-354°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in hot acetone. |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow |
| BRN | 643345 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| InChI | InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H |
| InChIKey | OKISUZLXOYGIFP-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)=O |
| CAS Datenbank | 90-98-2(CAS DataBase Reference) |
| NIST chemische Informationen | p-Dichlorobenzophenone(90-98-2) |
| EPA chemische Informationen | Methanone, bis(4-chlorophenyl)- (90-98-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (86.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 37 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Methanone, bis(4-chlorophenyl)-Methanone, bis(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. |
| Gefahrenübersicht | Intraperitoneal LD50 (mouse) = 200 mg/kg[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (86.5%) |
| RAIS Toxicity Values | 0.009SCREEN Current0.09PPRTV Current |
| USGS Health-Based Screening Levels for Evaluating Water-Quality | 4,4'-DichlorobenzophenonePesticide degradation productSmith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP |
| EPA Provisional Peer-Reviewed Toxicity Values | 4,4\'-DichlorobenzophenonePDF DocumentInadequate information to assess carcinogenic potential2009 |
| Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 | 5.70e+027.40e+037.80e+017.50e+014.70e-019.00e-03 |
| Hazard Quotient Level 3 or Cancer Risk Level 1E-04 | 1.70e+032.20e+042.30e+027.50e+019.00e-03Volatile |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29147000 |
| RTECS-Nr. | DJ0525000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4,4'-Dichlorobenzophenone is used as pharmaceutical intermediates. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and dyestuffs. Bisaminonitrile was polymerized with 4,4'-dichlorobenzophenone using NaH as base.
Herstellung & Synthese
synthetische
4,4'-Dichlorobenzophenone is prepared by the acylation of chlorobenzene with 4-chlorobenzoyl chloride. The conversion is typically conducted in the presence of an aluminium chloride catalyst in a petroleum ether solvent.ClC6H5C(O)Cl + C6H5Cl → (ClC6H4)2CO + HCl