3-Fluoro-p-anisaldehyde (HCID 67696)

名称と識別子

優先名称: 3-Fluoro-p-anisaldehyde
IUPAC: 3-fluoro-4-methoxybenzaldehyde
現地名: 3-フルオロ-p-アニスアルデヒド
英語名: 3-Fluoro-4-methoxybenzaldehyde
分子式: C8H7FO2
分子量: 154.14

名称と別名

3-Fluoro-4-methoxybenzaldehyde351-54-23-Fluoro-p-anisaldehydeEINECS 206-514-3SOQCZBSZZLWDGU-UHFFFAOYSA-DTXSID20188596RefChem:501926DTXCID80111087206-514-3InChI=1/C8H7FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3MFCD000033493-fluoro-4-anisaldehyde

名称をさらに表示

3-フルオロ-p-アニスアルデヒド3-フルオロ-4-メトキシベンズアルデヒド3-フルオロアニスアルデヒド3‐フルオロ‐4‐メトキシベンズアルデヒド3-Fluoroanisaldehyde3-fluoro-para-anisaldehyde3-Fluoro-p-anisaldehyde>3-FLUORO-4-METHOXYBENZALDEHYDE4-Methoxy-3-fluorobenzaldehyde3-Fluoro-4-methoxybenzaldehyde,98%3-fluoro-4-methoxybenzaldehyde(SALTDATA: FREE)

Benzaldehyde, 3-fluoro-4-methoxy-3-fluoro-4-methoxy-benzaldehydeK2CG7GUS9W3-fluoro-4-methoxy benzaldehyde3-Fluoro-p-anisaldehyde;4-Methoxy-3-fluorobenzaldehyde;3-fluoro-anisaldehydeUNII-K2CG7GUS9W

データベース識別子

CAS: 351-54-2
PubChem CID: 67696
DTXSID: DTXSID20188596
UNII: K2CG7GUS9W
EC Number: 206-514-3
Nikkaji: J35C

物性

構造計算による物性

XLogP: 1.4
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 138

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点: 34 · 34-35 °C (lit.)
沸点: 129 · 129-132°C 11mm
比重(密度): 1.192 · 1.192±0.06 g/cm3(Predicted)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 油
色: 無色透明
BRN: 1942621 · 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
CAS データベース: 351 · 351-54-2(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow low melting crystalline mass

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (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.

危険有害性情報

Regulatory InformationStatus: Active Update: 21-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28403

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29130000
risk_code: 36/37/38-22
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 37/39-26-36
hazard_class: IRRITANT, AIR SENSITIVE
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用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.

一般的な説明The nuclear magnetic resonance spectral parameters for 3-Fluoro-4-methoxybenzaldehyde has been studied.