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7-Bromo-4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one
7-Bromo-4,4-dimethyl-1-tetralone · 7-BroMo-4,4-diMethyl-3,4-dihydronaphthalen-1-one · 7-BroMo-3,4-dihydro-4,4-diMethylnaphthalen-1(2H)-one · 7-broMo-4,4-diMethyl-3,4-dihydronaphthalen-1(2H)-one · 7-Bromo-4,4-dimethyl-3,4-dihydro-2H-naphthalen-1-one · 1(2H)-Naphthalenone, 7-bromo-3,4-dihydro-4,4-dimethyl- · 7-bromo-4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one · 7-BroMo-4,4-diMethyl-1-oxo-1,2,3,4-tetrahydronaphthalene
Identifikatoren & physikalische Daten
| CAS No. | 166978-46-7 |
|---|---|
| Summenformel | C12H13BrO |
| Durchschnittliche Molmasse | 253,13 g/mol |
| Monoisotopische Masse | 252,01497714 g/mol |
| SMILES | CC1(C)CCC(=O)c2cc(Br)ccc21 |
| InChIKey | QZSBQGIPLDEDIX-UHFFFAOYSA-N |
| PubChem CID | 10753357 |
| EC No. | 839-253-4 |
| DTXSID | DTXSID80444448 |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 247 |
| Schmelzpunkt | 56-57 °C |
| Siedepunkt | 325.6±41.0 °C(Predicted) |
| Dichte | 1.351±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform, Dichloromethane, Ethyl Acetate |
| Aggregatzustand | Solid |
| Farbe | Pale Yellow |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Intermediate in the production of high affinity retinoic acid receptor (RAR) antagonists.