Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Hydroxy-4-(trifluoromethyl)benzaldehyde
2-Hydroxy-4-(trifluoromethyl)benzaldehyde · 2-Hydroxy-4-(trifluoromethyl) · 4-trifluoromethylsalicaldehyde · 4-Trifluoromethylsalicyaldehyde · 2-Formyl-5-(trifluoromethyl)phenol · 4-(Trifluoromethyl)salicylaldehyde · 4-Formyl-3-hydroxybenzotrifluoride · 2-Hydroxy-4-(tifluoromethyl)benzaldehyde
식별자 및 물리적 특성
| CAS No. | 58914-34-4 |
|---|---|
| 분자식 | C8H5F3O2 |
| 평균 분자량 | 190.12 g/mol |
| 단동위원소 질량 | 190.02416406 g/mol |
| SMILES | O=Cc1ccc(C(F)(F)F)cc1O |
| InChIKey | YHYNJGHMBMXAFB-UHFFFAOYSA-N |
| PubChem CID | 22493901 |
| EC No. | 829-951-7 |
| DTXSID | DTXSID60626169 |
화학 및 물리적 성질
| XLogP | 2.5 |
|---|---|
| 극성 표면적 | 37.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 190 |
| 끓는 점 | 217.8±40.0 °C(Predicted) |
| 밀도 | 1.429±0.06 g/cm3(Predicted) |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 7.17±0.10(Predicted) |
| 색상 | 무색~담황색 |
안전 및 규제
| GHS 분류 | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| 관세 코드 | 2912210000 |
용도
용도
2-Hydroxy-4-(trifluoromethyl)benzaldehyde (cas# 58914-34-4) is used as a reactant in the preparation of flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease.