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
식별자 및 물리적 특성
| CAS No. | 29558-77-8 |
|---|---|
| 분자식 | C12H9BrO |
| 평균 분자량 | 249.1 g/mol |
| 단동위원소 질량 | 247.98367701 g/mol |
| SMILES | Oc1ccc(-c2ccc(Br)cc2)cc1 |
| InChIKey | ARUBXNBYMCVENE-UHFFFAOYSA-N |
| PubChem CID | 95093 |
| EC No. | 608-376-3 |
| DTXSID | DTXSID40183740 |
화학 및 물리적 성질
| XLogP | 4.7 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 167 |
| SpringerMaterials Properties | Chemical structure |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 녹는점 | 164-166 °C(lit.) |
| 끓는 점 | 355.5±17.0 °C(Predicted) |
| 밀도 | 1.4188 (rough estimate) |
| 굴절률 | 1.5130 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 9.70±0.15(Predicted) |
| 색상 | 흰색에서 거의 흰색 |
| 용해도 | 물(일부) 및 메탄올에 용해됩니다. |
| 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 |
화학적 성질
White or cream powder
안전 및 규제
| GHS 분류 | 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%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29081990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-37/39 |
용도
용도
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).