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4,4-Dimethyl-3,4-dihydro-2H-naphthalen-1-one
NSC 39128 · 4,4-DIMETHYL TETRALONE · 4,4-Dimethyl-1-tetralone · 4,4-dimethyltetralin-1-one · 4,4-dimethyl-2,3-dihydronaphthalen-1-one · 4,4-Dimethyl-3,4-dihydro-2H-naphthalen-1-one · 3,4-Dihydro-4,4-diMethyl-1(2H)-naphthalenone · 4,4-diMethyl-3,4-dihydronaphthalen-1(2H)-one
Identifikatoren & physikalische Daten
| CAS No. | 2979-69-3 |
|---|---|
| Summenformel | C12H14O |
| Durchschnittliche Molmasse | 174,24 g/mol |
| Monoisotopische Masse | 174,10446507 g/mol |
| SMILES | CC1(C)CCC(=O)c2ccccc21 |
| InChIKey | NHDVZOXPHYFANX-UHFFFAOYSA-N |
| PubChem CID | 236547 |
| ChEMBL | CHEMBL1878901 |
| EC No. | 676-104-0 |
| DTXSID | DTXSID70284810 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 217 |
| Schmelzpunkt | 12-14 °C |
| Siedepunkt | 119-120 °C(Press: 6 Torr) |
| Dichte | 1.017±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Dark Red |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| Zollcode | 2914390090 |
Anwendungen & Verwendung
Verwenden
Intermediate in the production of high affinity retinoic acid receptor (RAR) antagonists.