Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4'-(트리플루오로메틸)프로피오페논
4'-(트리플루오로메틸)프로피오페논 · p-trifluoromethylpropiophenone · 4-(TRIFLUOROMETHYL)PROPIOPHENONE · 4'-(Trifluoromethyl)propiophenone · 4'-(Trifluoromethyl)propiophenone 97% · 4'-(Trifluoromethyl)propiophenone,97% · Ethyl 4-(trifluoromethyl)phenyl ketone · p-Trifluoromethylpropiophenone, min. 97%
식별자 및 물리적 특성
| CAS No. | 711-33-1 |
|---|---|
| 분자식 | C10H9F3O |
| 평균 분자량 | 202.17 g/mol |
| 단동위원소 질량 | 202.06054957 g/mol |
| SMILES | CCC(=O)c1ccc(C(F)(F)F)cc1 |
| InChIKey | QFKOWENRSZZLPK-UHFFFAOYSA-N |
| PubChem CID | 136554 |
| EC No. | 626-720-0 |
| DTXSID | DTXSID40221318 |
| 현지명 | 4'-(트리플루오로메틸)프로피오페논 |
화학 및 물리적 성질
| XLogP | 3.1 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 202 |
| 녹는점 | 36-39 °C(lit.) |
| 끓는 점 | 216 °C(lit.) |
| 밀도 | 1,973 g/cm3 |
| 인화점 | 210 °F |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 물리적 상태 | 융합된 고체 |
| 색상 | White/colourless |
| BRN | 1874014 |
| InChI | 1S/C10H9F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6H,2H2,1H3 |
| InChIKey | QFKOWENRSZZLPK-UHFFFAOYSA-N |
| SMILES | CCC(=O)c1ccc(cc1)C(F)(F)F |
화학적 성질
solid
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 43 reports by companies from 6 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 | 29147000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
4-(Trifluoromethyl)propiophenone is used as a reagent in the preparation of ketones and alcohols in organic synthesis. It is also used as a starting material for the synthesis of various compounds such as 4-(trifluoromethyl)phenylacetic acid, which is used as a building block in the synthesis of pharmaceuticals.