Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-브로모-4-트리플로로메톡시벤젠
1-브로모-4-(트라이플루오로메톡시)벤젠 · 1-브로모-4-트리플로로메톡시벤젠 · 1-브로모-4-(트리플루오로메톡시)벤젠 · 4-Bromozbenzotrifluoride · P-BROMOTRIFLUOROMETHOXYBENZENE · 4-(TRIFLUOROMETHOXY)BROMOBENZENE · 4-BroMo-1-(trifluoroMethoxy)benzene · 1-Bromo-4-(trifL
식별자 및 물리적 특성
| CAS No. | 407-14-7 |
|---|---|
| 분자식 | C7H4BrF3O |
| 평균 분자량 | 241 g/mol |
| 단동위원소 질량 | 239.93976 g/mol |
| SMILES | FC(F)(F)Oc1ccc(Br)cc1 |
| InChIKey | SEAOBYFQWJFORM-UHFFFAOYSA-N |
| PubChem CID | 521008 |
| EC No. | 206-979-2 |
| DTXSID | DTXSID90193672 |
| 현지명 | 1-브로모-4-트리플로로메톡시벤젠 |
화학 및 물리적 성질
| XLogP | 3.8 |
|---|---|
| 극성 표면적 | 9.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 140 |
| 끓는 점 | 80 °C50 mm Hg(lit.) |
| 밀도 | 1.622 g/mL at 25 °C(lit.) |
| 증기압 | 20 hPa (55 °C) |
| 굴절률 | n20/D 1.461(lit.) |
| 인화점 | 154 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 11.7mg/L |
| 물리적 상태 | 액체 |
| 비중 | 1.64 |
| 색상 | 무색~황색으로 투명함 |
| 용해도 | 11.7mg/L |
| BRN | 2046332 |
| InChI | InChI=1S/C7H4BrF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H |
| InChIKey | SEAOBYFQWJFORM-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(OC(F)(F)F)C=C1 |
| NIST | P-bromophenyl trifluoromethyl ether(407-14-7) |
화학적 성질
CLEAR COLOURLESS TO YELLOW LIQUID
안전 및 규제
| GHS 분류 | DangerH302 (70.9%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (83.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H334 (70.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H335 (81.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 55 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Status: Cease Manufacture Update: 14-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21159 |
| Hazard Classes and Categories | Acute Tox. 4 (70.9%)Skin Irrit. 2 (100%)Eye Irrit. 2A (83.6%)Resp. Sens. 1 (70.9%)STOT SE 3 (81.8%) |
| 수질 위해 등급(WGK) | 1 |
| 운송 번호(UN) | UN 3082 9/PG 3 |
| 독성 | LD50 orally in Rabbit: > 2500 mg/kg |
| 관세 코드 | 29093090 |
| 위험 문구(R) | 22-36/37/38-43-51/53 |
| 위험 표시 | Xn,N,Xi |
| 안전 문구(S) | 26-36/37-61-37/39-36 |
| 위험 등급 | IRRITANTSkin Irrit. 2 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
1-Bromo-4-(trifluoromethoxy)benzene was used in the synthesis of 4-{[4-[(2-ethylhexyloxy)-6-(4-morpholinylmethyl)-4-trifluoromethyl][1,1-biphenyl]-3-yl]methyl}morpholine.
일반 설명
1-Bromo-4-(trifluoromethoxy)benzene on treatment with lithium diisopropylamide (LIDA) at -100°C gives 5-bromo-2-(trifluoromethoxy)phenyllithium and at -75°C it eliminates lithium bromide, thus generating 1,2-dehydro-4-(trifluoromethoxy)benzene.