Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,6-Difluoro-4-methoxybenzaldehyde
5-Fluoroacetophenone · 2,6-fluoro-4-methoxybenzaldehyde · ,6-DIFLUORO-4-METHOXYBENZALDEHYDE · 2,6-DIFLUORO-4-METHOXYBENZALDEHYDE · Benzaldehyde, 2,6-difluoro-4-methoxy- · 2,6-Difluoro-4-methoxybenzaldehyde 98% · 2,6-DIFLUORO-4-METHOXYBENZALDEHYDE ISO 9001：2015 REACH · 3,5-Difluoro-4-formylanisole, 2,6-Difluoro-p-anisaldehyde
식별자 및 물리적 특성
| CAS No. | 256417-10-4 |
|---|---|
| 분자식 | C8H6F2O2 |
| 평균 분자량 | 172.13 g/mol |
| 단동위원소 질량 | 172.03358587 g/mol |
| SMILES | COc1cc(F)c(C=O)c(F)c1 |
| InChIKey | ZYABCGOTMDPUDD-UHFFFAOYSA-N |
| PubChem CID | 3703713 |
| EC No. | 625-806-5 |
| DTXSID | DTXSID70395273 |
화학 및 물리적 성질
| XLogP | 1.6 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 151 |
| 녹는점 | 73-77 °C(lit.) |
| 끓는 점 | 207.1±35.0 °C(Predicted) |
| 밀도 | 1.289±0.06 g/cm3(Predicted) |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| 물리적 상태 | 고체 |
| 색상 | Faint Gold |
| InChI | 1S/C8H6F2O2/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3 |
| InChIKey | ZYABCGOTMDPUDD-UHFFFAOYSA-N |
| SMILES | COc1cc(F)c(C=O)c(F)c1 |
안전 및 규제
| GHS 분류 | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 45 reports by companies from 3 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 | 29130000 |
| 위험 문구(R) | 38-41 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36/37/39 |
| 위험 등급 | Eye Dam. 1Skin Irrit. 2 |
| 저장 분류 | 13 - Non Combustible Solids |
용도
용도
2,6-Difluoro-4-methoxybenzaldehyde, is a versatile building block used for the synthesis of more complex pharmaceutical and biologically active compounds. It is shown to be involved in the preparation of potent and orally available G protein-coupled receptor 40 agonists, used the treatment of type 2 diabetes.