4-ブロモ-4'-ヒドロキシビフェニル
4-ブロモ-4'-ヒドロキシビフェニル · 4'-ブロモ-1,1'-ビフェニル-4-オール · 4'-ブロモ-4-ビフェニルオール · 4'-ブロモビフェニル-4-オール · 4-ヒドロキシ-4'-ブロモビフェニル · 4-(4-ブロモフェニル)フェノール · 4'-ブロモ-4-ビフェニロール · 4－ブロモ－4’－ヒドロキシビフェニル
識別子と物理属性
| CAS No. | 29558-77-8 |
|---|---|
| 分子式 | C12H9BrO |
| 平均分子量 | 249.1 g/mol |
| 単同位体質量 | 247.98367701 g/mol |
| SMILES | Oc1ccc(-c2ccc(Br)cc2)cc1 |
| InChIKey | ARUBXNBYMCVENE-UHFFFAOYSA-N |
| PubChem CID | 95093 |
| EC No. | 608-376-3 |
| DTXSID | DTXSID40183740 |
| 現地名 | 4-ブロモ-4'-ヒドロキシビフェニル |
化学・物理的性質
| XLogP | 4.7 |
|---|---|
| 極性表面積 | 20.2 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 1 |
| 重原子数 | 14 |
| 形式電荷 | 0 |
| 複雑度 | 167 |
| SpringerMaterials Properties | Chemical structure |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 融点 | 164-166 °C(lit.) |
| 沸点 | 355.5±17.0 °C(Predicted) |
| 密度 | 1.4188 (rough estimate) |
| 屈折率 | 1.5130 (estimate) |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | powder to crystal |
| pKa（酸解離定数） | 9.70±0.15(Predicted) |
| 色 | White to Almost white |
| 溶解度 | 水（一部）、メタノールに可溶。 |
| InChI | InChI=1S/C12H9BrO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H |
| InChIKey | ARUBXNBYMCVENE-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(Br)C=C2)=CC=C(O)C=C1 |
| CAS データベース | 29558-77-8(CAS DataBase Reference) |
化学的特性
White or cream powder
安全性と法規制
| GHS 分類 | 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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 水環境危害等級（WGK） | 3 |
| 税関コード | 29081990 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| 安全措置（S） | 26-37/39 |
用途
使用
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).