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4,4'-Dimethylbiphenyl
4,4'-DIMETHYL-1,1'-BIPHENYL · Di-p-tolyl · Bi-p-tolyl · 4,4'-Ditolyl · 4,4'-BITOLYL · p,p'-Ditolyl · P,P'-BITOLYL · 4,4'-BITOLUENE
Identifikatoren & physikalische Daten
| CAS No. | 613-33-2 |
|---|---|
| Summenformel | C14H14 |
| Durchschnittliche Molmasse | 182,26 g/mol |
| Monoisotopische Masse | 182,10955045 g/mol |
| SMILES | Cc1ccc(-c2ccc(C)cc2)cc1 |
| InChIKey | RZTDESRVPFKCBH-UHFFFAOYSA-N |
| PubChem CID | 11941 |
| EC No. | 210-337-7 |
| DTXSID | DTXSID30210195 |
| Lokaler Name | 4,4'-Dimethylbiphenyl |
Chemische & physikalische Eigenschaften
| XLogP | 5,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 137 |
| Kovats Retention Index | 1583161915941596.81607.61614.2161615901587.8277270.6277.49274.5274.44274.59274.08222122362281 |
| Schmelzpunkt | 118-120 °C(lit.) |
| Siedepunkt | 295 °C(lit.) |
| Dichte | 0.9170 |
| Brechungsindex | 1.5811 (estimate) |
| Flammpunkt | 295°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to light yellow |
| Löslichkeit | Insoluble in water. |
| BRN | 1856053 |
| InChI | InChI=1S/C14H14/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3 |
| InChIKey | RZTDESRVPFKCBH-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(C)C=C2)=CC=C(C)C=C1 |
| LogP (Verteilungskoeffizient) | 5.090 |
| CAS Datenbank | 613-33-2(CAS DataBase Reference) |
| NIST chemische Informationen | 4,4'-Dimethylbiphenyl(613-33-2) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Status: Active Update: 10-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22909 |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29029090 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4,4'-Dimethylbiphenyl is used in the preparation of biphenyl-4,4-dicarboxylic acid, which acts as a monomer utilized in the synthesis of linear long chain polymer through polycondensation reaction. It is used to prepare 4-(4'-methylphenyl)benzaldehyde by selective photoxygenation reaction using 9-phenyl-10-methylacridinium perchlorate as a catalyst under visible light irradiation.