HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 70829Erstellt: 27. Oktober 2026
4-Brom-2,6-di-tert-butylphenol
Probucol Impurity · Probucol Impurity 22 · 4-BROMO-2,6-DI-TERT-PHENOL · 4-BROMO-2,6-DI-T-BUTYLPHENOL · 4-BROMO-2,6-DI-TERT-BUTYLPHENOL · 2,6-DI-TERT-BUTYL-4-BROMOPHENOL · 2,6-Bis(tert-butyl)-4-bromophenol · 4-Bromo-2,6-di-tert-butylphenol 98%
https://huagongshe.com/de/chemical/70829
Identifikatoren & physikalische Daten
| CAS No. | 1139-52-2 |
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| Summenformel | C14H21BrO |
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| Durchschnittliche Molmasse | 285,22 g/mol |
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| Monoisotopische Masse | 284,07757739 g/mol |
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| SMILES | CC(C)(C)c1cc(Br)cc(C(C)(C)C)c1O |
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| InChIKey | SSQQUEKFNSJLKX-UHFFFAOYSA-N |
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| PubChem CID | 70829 |
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| ChEMBL | CHEMBL389620 |
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| EC No. | 214-521-8 |
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| DTXSID | DTXSID70150607 |
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| Lokaler Name | 4-Brom-2,6-di-tert-butylphenol |
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Chemische & physikalische Eigenschaften
| XLogP | 5,6 |
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| Polarare Oberfläche (TPSA) | 20,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 212 |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Schmelzpunkt | 78-83 °C (dec.)(lit.) |
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| Siedepunkt | 128 °C / 4mmHg |
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| Dichte | 1.2457 (rough estimate) |
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| Brechungsindex | 1.5130 (estimate) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 11.23±0.40(Predicted) |
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| Farbe | White to Orange to Green |
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| BRN | 2051052 |
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| InChI | 1S/C14H21BrO/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3 |
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| InChIKey | SSQQUEKFNSJLKX-UHFFFAOYSA-N |
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| SMILES | CC(C)(C)c1cc(Br)cc(c1O)C(C)(C)C |
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| CAS Datenbank | 1139-52-2(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29081990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36-37/39 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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Anwendungen & Verwendung
Verwenden
4-Bromo-2,6-di-tert-butylphenol may be used in the following studies:As a terminating comonomer phenol in the phase transfer catalyzed (PTC) polymerization of 4-bromo-2,6-dimethylphenol.Synthesis of 1,1-[1,10-decanediylbis(oxy)]bis[(2,6-ditertbutyl-4-bromo)benzene], a monomer, which forms poly(p-phenylenevinylene) derivatives by reaction with 1,10-dibromodecane.As a reactant in the synthesis of 2,6-di-tert-butyl-phenolnorbornene (NArOH), a norbornene comonomer bearing an antioxidant hindered phenol.As a catalyst with methyl aluminium to form methylaluminum bis(4-bromo-2,6-di-tert-butylphenoxide) (MABR) which may be utilized for the transformation of various epoxides to carbonyl compounds.
