HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,6-Dimethyl-p-benzochinon
2,6-DIMETHYL-1,4-BENZOQUINONE · 2,6-DIMETHYL-P-BENZOQUINONE · 2,6-DIMETHYL-2,5-CYCLOHEXADIENE-1,4-DIONE · M-XYLOQUINONE · 2,6-DIMETHYL-P-QUINONE · 2,6-XYLOQUINONE · m-Xylo-p-quinone · 2,6-Dimethylquinone
Identifikatoren & physikalische Daten
| CAS No. | 527-61-7 |
|---|---|
| Summenformel | C8H8O2 |
| Durchschnittliche Molmasse | 136,15 g/mol |
| Monoisotopische Masse | 136,0524295 g/mol |
| SMILES | CC1=CC(=O)C=C(C)C1=O |
| InChIKey | SENUUPBBLQWHMF-UHFFFAOYSA-N |
| PubChem CID | 68241 |
| ChEMBL | CHEMBL150643 |
| EC No. | 208-420-8 |
| DTXSID | DTXSID00200664 |
| Lokaler Name | 2,6-Dimethyl-p-benzochinon |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 232 |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 0.95 |
| Schmelzpunkt | 71-73 °C(lit.) |
| Siedepunkt | 201℃ |
| Dichte | 1.115 |
| Brechungsindex | 1. |
| Flammpunkt | 71℃ |
| Aggregatzustand | Needle-Like Crystalline Solid |
| Farbe | Yellow to brown |
| Löslichkeit | Soluble in chloroform. Insoluble in water. |
| BRN | 2041345 |
| Stabilität | Stable. Combustible. Incompatible with oxidizing agents. |
| InChI | InChI=1S/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3 |
| InChIKey | SENUUPBBLQWHMF-UHFFFAOYSA-N |
| SMILES | C1(=O)C(C)=CC(=O)C=C1C |
| CAS Datenbank | 527-61-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethyl- |
| Hazard Classes and Categories | Acute Tox. 4 (83.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29146990 |
| RTECS-Nr. | DK4825000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,6-Dimethyl-p-benzoquinone is used as organic intermediates.