Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-(트리플루오로메톡시)플루오로벤젠
4-(트리플루오로메톡시)플루오로벤젠 · 1-FLUORO-4-(TRIFLUOROMETHOXY)BENZENE · 4-FLUORO(TRIFLUOROMETHOXY)BENZENE · uoro-4-(trifL · 4-fluoro(trifluoromethyloverover · P-FLUORO(TRIFLUOROMETHOXY)BENZENE · 4-(TRIFLUOROMETHOXY)FLUOROBENZENE · p-(Trifluoromethoxy)fluorobenzene
식별자 및 물리적 특성
| CAS No. | 352-67-0 |
|---|---|
| 분자식 | C7H4F4O |
| 평균 분자량 | 180.1 g/mol |
| 단동위원소 질량 | 180.0198274 g/mol |
| SMILES | Fc1ccc(OC(F)(F)F)cc1 |
| InChIKey | JULMJGDXANEQDP-UHFFFAOYSA-N |
| PubChem CID | 67698 |
| EC No. | 206-523-2 |
| DTXSID | DTXSID40188699 |
| 현지명 | 4-(트리플루오로메톡시)플루오로벤젠 |
화학 및 물리적 성질
| XLogP | 3.2 |
|---|---|
| 극성 표면적 | 9.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 137 |
| 끓는 점 | 104-105 °C(lit.) |
| 밀도 | 1.323 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.394(lit.) |
| 인화점 | 60 °F |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| 비중 | 1.323 |
| 색상 | Clear, colourless |
| 용해도 | 물에 섞이거나 혼합하기 어렵지 않습니다. |
| BRN | 2046330 |
| InChI | InChI=1S/C7H4F4O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H |
| InChIKey | JULMJGDXANEQDP-UHFFFAOYSA-N |
| SMILES | C1(F)=CC=C(OC(F)(F)F)C=C1 |
| NIST | P-fluorophenyl trifluoromethyl ether(352-67-0) |
안전 및 규제
| GHS 분류 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 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. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Skin Irrit. 2 (97.8%)Eye Irrit. 2A (97.8%)STOT SE 3 (97.8%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 1993 3/PG 2 |
| 관세 코드 | 29093090 |
| 위험 문구(R) | 11-36/37/38 |
| 위험 표시 | F,Xi |
| 안전 문구(S) | 16-26-36/37/39 |
| 포장분류 | II |
| 위험 등급 | 3Flam. Liq. 2 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
It is employed as an active pharmaceutical intermediate.