4-Bromostyrene
1-Bromo-4-vinylbenzene · 1-bromo-4-ethenylbenzene · DK657 · DK796 · NSC 60393 · 4-Bromstyrol · p-Bromostyrol · BROMOSTYRENE-4
식별자 및 물리적 특성
| CAS No. | 2039-82-9 |
|---|---|
| 분자식 | C8H7Br |
| 평균 분자량 | 183.04 g/mol |
| 단동위원소 질량 | 181.97311232 g/mol |
| SMILES | C=Cc1ccc(Br)cc1 |
| InChIKey | WGGLDBIZIQMEGH-UHFFFAOYSA-N |
| PubChem CID | 16263 |
| EC No. | 218-022-6 |
| DTXSID | DTXSID40174330 |
화학 및 물리적 성질
| XLogP | 3.4 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 90.7 |
| Polymers | Plastics & Rubber -> Styrenes |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Pale yellow liquidmp = 3-6 deg C[Alfa Aesar MSDS] |
| 녹는점 | 4.5 °C |
| 끓는 점 | 89 °C16 mm Hg(lit.) |
| 밀도 | 1.40 g/mL at 20 °C |
| 굴절률 | n20/D 1.594(lit.) |
| 인화점 | 168 °F |
| 저장 조건 | -20°C |
| 용해도 | 에탄올, 에테르, 벤젠과 혼합 가능. |
| 물리적 상태 | 액체 |
| 색상 | 연한 녹황색 |
| BRN | 1634204 |
| InChI | InChI=1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2 |
| InChIKey | WGGLDBIZIQMEGH-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(C=C)C=C1 |
| NIST | 4-BrC6H4CH=CH2(2039-82-9) |
화학적 성질
clear slightly yellow to yellow liquid
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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Benzene, 1-bromo-4-ethenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | A skin and strong eye irritant[Alfa Aesar MSDS] See p-Chlorostyrene. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29036990 |
| 위험 문구(R) | 36/38-36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36-37/39 |
| F 고인화성물질 | 8 |
| 위험 참고 사항 | Irritant/Keep Cold |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
4-Bromostyrene is widely utilized in the synthesis of nitroolefins by alkene cross-metathesis. It plays an important role in the Heck reaction to the synthesis of poly(1,4-phenylenevinylene). It is employed in the structure activity relationships (SAR) study of the chemical and biochemical properties of the vinyl group of styrene. It is also used to investigate the photochemical growth of Br-terminated self-assembled monolayers. It is also involved in the synthesis of silsesquioxanes.
일반 설명
4-Bromostyrene is a para-halogenated styrene derivative. The proton spectra of 4-bromostyrene exhibits dipolar couplings consistent with planar ground state structures, only if the torsional motion of lowest frequency occurs at about 80cm-1. It undergoes Heck reaction with 2-bromo-6-methoxynaphthalene in the presence of sodium acetate and Hermann′s catalyst in N,N-dimethylacetamide to afford diarylethene.