3-플루오로-4-메톡시벤즈알데히드
3-플루오로-4-메톡시벤즈알데히드 · 3-Fluoroanisaldehyde · 3-FLUORO-4-ANISALDEHYDE · 3-FLUORO-P-ANISALDEHYDE · 3-fluoro-para-anisaldehyde · 3-Fluoro-p-anisaldehyde>3-FLUORO-4-METHOXYBENZALDEHYDE · 4-Methoxy-3-fluorobenzaldehyde · Benzaldehyde, 3-fluoro-4-methoxy-
식별자 및 물리적 특성
| CAS No. | 351-54-2 |
|---|---|
| 분자식 | C8H7FO2 |
| 평균 분자량 | 154.14 g/mol |
| 단동위원소 질량 | 154.04300768 g/mol |
| SMILES | COc1ccc(C=O)cc1F |
| InChIKey | SOQCZBSZZLWDGU-UHFFFAOYSA-N |
| PubChem CID | 67696 |
| EC No. | 206-514-3 |
| DTXSID | DTXSID20188596 |
| 현지명 | 3-플루오로-4-메톡시벤즈알데히드 |
화학 및 물리적 성질
| XLogP | 1.4 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 138 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 녹는점 | 34-35 °C (lit.) |
| 끓는 점 | 129-132°C 11mm |
| 밀도 | 1.192±0.06 g/cm3(Predicted) |
| 인화점 | >230 °F |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 기름 |
| 색상 | 투명 무색 |
| BRN | 1942621 |
| InChI | InChI=1S/C8H7FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3 |
| InChIKey | SOQCZBSZZLWDGU-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(OC)C(F)=C1 |
화학적 성질
white to light yellow low melting crystalline mass
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 21-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28403 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29130000 |
| 위험 문구(R) | 36/37/38-22 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 37/39-26-36 |
| 위험 등급 | IRRITANT, AIR SENSITIVE |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
3-Fluoro-4-methoxybenzaldehyde is a useful reagent in the synthesis of resveratrol derivatives as potent inhibitors of lysine specific demethylase 1 (LSD1), a therapeutic target for cancer treatment and other related diseases. Also a reagent for the synthesis of substituted pyrazolyl piperidine derivatives as antiplatelet agents with antiplatelet aggregation activity in the human body.
일반 설명
The nuclear magnetic resonance spectral parameters for 3-Fluoro-4-methoxybenzaldehyde has been studied.