HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 95093Erstellt: 25. Oktober 2026
4-Bromo-4'-hydroxybiphenyl
4'-Bromo-[1,1'-biphenyl]-4-ol · NSC 17284 · 4'-BROMOBIPHENYL-4-OL · 4-(4-BROMOPHENYL)PHENOL · 4-(4-BROMPHENYL)-PHENOL · 4-hydroxy-4'-bromobenzene · 4-Bromo-4'-hydroxybiphenyl · 4-Hydroxy-4'-bromobiphenyl
https://huagongshe.com/de/chemical/95093
Identifikatoren & physikalische Daten
| CAS No. | 29558-77-8 |
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| Summenformel | C12H9BrO |
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| Durchschnittliche Molmasse | 249,1 g/mol |
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| Monoisotopische Masse | 247,98367701 g/mol |
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| SMILES | Oc1ccc(-c2ccc(Br)cc2)cc1 |
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| InChIKey | ARUBXNBYMCVENE-UHFFFAOYSA-N |
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| PubChem CID | 95093 |
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| EC No. | 608-376-3 |
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| DTXSID | DTXSID40183740 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,7 |
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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 | 1 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 167 |
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| SpringerMaterials Properties | Chemical structure |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Schmelzpunkt | 164-166 °C(lit.) |
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| Siedepunkt | 355.5±17.0 °C(Predicted) |
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| Dichte | 1.4188 (rough estimate) |
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| Brechungsindex | 1.5130 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 9.70±0.15(Predicted) |
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| Farbe | White to Almost white |
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| Löslichkeit | Soluble in water (partly), and methanol. |
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| InChI | InChI=1S/C12H9BrO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H |
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| InChIKey | ARUBXNBYMCVENE-UHFFFAOYSA-N |
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| SMILES | C1(C2=CC=C(Br)C=C2)=CC=C(O)C=C1 |
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| CAS Datenbank | 29558-77-8(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 5 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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| Sicherheitshinweise (S) | 26-37/39 |
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Anwendungen & Verwendung
Verwenden
A biphenyl starting material. 4-Bromo-(1,1-biphenyl)-4-ol is a useful intermediate. Vinylation of 4-bromo-4-hydroxybiphenyl and ethyl acrylate using Pd (OAc) 2/PPh 3 catalyst was studied. Ethyl 4-(4-hydroxyphenyl) cinnamate was formed as the vinylation product, while, 4-hydroxybiphenyl and ethyl cinnamate were formed as side products. Preparation of 4-cyano-4'-hydroxybiphenyl This was prepared from 4-bromo-4'-benzenesulphonyloxybiphenyl by first hydrolysing it to 4-bromo-4-hydroxybiphenyl using sodium hydroxide dissolved in a mixture of water and dioxan. The syntheses of the Nanocomposite dendrimers based on cyclic phosphazene cores: Amorphous materials, were accomplished by following a modified literature procedure by reacting phosphonitrilic chloride trimer with 4-bromophenol or 4-bromo-4-hydroxybiphenyl, respectively, in the presence of K 2 CO 3 in tetrahydrofuran (THF).
