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2-Bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]ethan-1-one
101233 · 3,5-DI(TERT-BUTYL)-4-HYDROXYPHENACYL BROMIDE · 3,5-Bis(tert-butyl)-4-hydroxyphenacylbromide · 2-Bromo-3,5-di-Tert-Butyl-4-Hydroxyacetophenone · 2-Bromo-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone · 2-Bromo-3',5'-di-tert-butyl-4'-hydroxyacetophenone, 97% · 2-bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1-ethylone · 2-Bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]ethan-1-one
![Molekülstruktur von 2-Bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]ethan-1-one](/img/chemical/616161.png)
Identifikatoren & physikalische Daten
| CAS No. | 14386-64-2 |
|---|---|
| Summenformel | C16H23BrO2 |
| Durchschnittliche Molmasse | 327,26 g/mol |
| Monoisotopische Masse | 326,08814208 g/mol |
| SMILES | CC(C)(C)c1cc(C(=O)CBr)cc(C(C)(C)C)c1O |
| InChIKey | UYPXQSLSPUBZQW-UHFFFAOYSA-N |
| PubChem CID | 616161 |
| EC No. | 634-295-8 |
| DTXSID | DTXSID80346892 |
Chemische & physikalische Eigenschaften
| XLogP | 5,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 301 |
| Schmelzpunkt | 105 °C |
| Siedepunkt | 347℃ |
| Dichte | 1.230 |
| Flammpunkt | 164℃ |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| pKa (Säurekonstante) | 8.08±0.40(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (11.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (11.4%) |
| UN-Transportnummer | UN1759 |
| Zollcode | 2914500090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | C,T |
| hazard_note | Toxic/Corrosive/Lachrymatory/Keep Cold |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
Herstellung & Synthese
synthetische
Also obtained by reaction of bromine with 4-hydroxy-3,5-ditert-butylacetophenone in the presence of aluminium chloride in octane at 70° for 30 min (91%).