4'-브로모아세토페논
4'-브로모아세토페논 · 2-BROMO-1-(4-BROMOPHENYL)ETHAN-1-ONE · PBPB · P-BROMOPHENACYL BROMIDE · p-Bromoacetophenone · 1-Acetyl-4-bromobenzene · 1-(4-Bromophenyl)ethanone · para-BROMOACETOPHENONE
식별자 및 물리적 특성
| CAS No. | 99-90-1 |
|---|---|
| 분자식 | C8H7BrO |
| 평균 분자량 | 199.04 g/mol |
| 단동위원소 질량 | 197.96802694 g/mol |
| SMILES | CC(=O)c1ccc(Br)cc1 |
| InChIKey | WYECURVXVYPVAT-UHFFFAOYSA-N |
| PubChem CID | 7466 |
| ChEMBL | CHEMBL401928 |
| EC No. | 202-799-3 |
| DTXSID | DTXSID4059203 |
| 현지명 | 4'-브로모아세토페논 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 125 |
| SpringerMaterials Properties | Chemical shift |
| 녹는점 | 108-110 °C(lit.) |
| 끓는 점 | 255 °C(lit.) |
| 밀도 | 1.64 |
| 굴절률 | 1.5540 (estimate) |
| 인화점 | >230 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | 메탄올: 0.1 g/mL, 투명 |
| 물리적 상태 | 결정 또는 결정질 플레이크 |
| 색상 | 흰색에서 밝은 노란색 |
| 용해도 | 클로로포름에 용해됩니다. 물에 불용성. |
| Merck | 14,1403 |
| BRN | 386015 |
| InChI | 1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3 |
| InChIKey | WYECURVXVYPVAT-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc(Br)cc1 |
| NIST | Ethanone, 1-(4-bromophenyl)-(99-90-1) |
| EPA | Ethanone, 1-(4-bromophenyl)- (99-90-1) |
화학적 성질
white to light yellow crystals. soluble in alcohol, ether, glacial acetic acid, benzene, carbon disulfide and petroleum ether, insoluble in water. Easy to volatilize with water vapor.
안전 및 규제
| GHS 분류 | DangerH302 (82.4%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Ethanone, 1-(4-bromophenyl)-4'-Bromoacetophenone: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (82.4%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | AM6950000 |
| 운송 번호(UN) | UN 3261 8/PG 2 |
| 관세 코드 | 29147090 |
| 위험 문구(R) | 34-36/38-42/43-36/37/38-22 |
| 위험 표시 | C,Xi,Xn |
| 안전 문구(S) | 26-36/37/39-45-22-36/37 |
| F 고인화성물질 | 19-21 |
| 위험 참고 사항 | Irritant |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
4'-Bromoacetophenone is an important organic synthesis intermediate, widely used in synthetic medicine, pesticides, dyes, flavors and fragrances, perfumes, Intermediates of Liquid Crystals etc.
제조 및 합성 방법
제조 방법
4'-Bromoacetophenone is synthesized by the reaction of bromobenzene and acetic anhydride in the presence of aluminum trichloride. Add bromobenzene and dry carbon disulfide into the reactor, put in powdered anhydrous aluminum trichloride, heat until it starts to reflux, stop heating, add acetic anhydride dropwise, and then reflux for 1 hour after adding, steam out carbon disulfide, and put it while it is still hot. The reactant was poured into the hydrochloric acid ice-water mixture, filtered to dryness, and distilled under reduced pressure to obtain p-bromoacetophenone.