CAS 24654-55-5 3-(4-Fluorophenyl)-2-propenal (HCID 53384379)

基本情報

CAS: 24654-55-5
標準SMILES: O=CC=Cc1ccc(F)cc1
InChIKey: YSIYEWBILJZDQH-UHFFFAOYSA-N
分子式: C9H7FO
平均分子量: 150.15 g/mol
単同位体質量: 150.04809306

名称と識別子

優先名称: 3-(4-Fluorophenyl)-2-propenal
IUPAC: 3-(4-fluorophenyl)prop-2-enal
現地名: 4-フルオロシンナムアルデヒド
英語名: 4-Fluorocinnamaldehyde
分子式: C9H7FO
分子量: 150.15

名称と別名

24654-55-53-(4-Fluorophenyl)-2-propenalRefChem:2746003-(4-fluorophenyl)prop-2-enal2-Propenal, 3-(4-fluorophenyl)-MFCD03425895p-Fluorocinnamaldehyde4-Fluoro cinnamaldehyde3-(4-fluorophenyl)acrolein(2E)-3-(4-fluorophenyl)acrylaldehydeCHEMBRDG-BB 4004292SCHEMBL1435787

名称をさらに表示

4-フルオロシンナムアルデヒド3-(4-フルオロフェニル)-2-プロペナール3-(4-フルオロフェニル)アクリルアルデヒドp-flurocinnaldehyde4-Fluorociamaldehyde4-FLUOROCINNAMALDEHYDE4-Fluorocinnamaldehyde>4-FLUOROCINNAMALDEHYDE 98+%3-(4-Fluorophenyl)acrylaldehyde

SCHEMBL2345170YSIYEWBILJZDQH-UHFFFAOYSA-NDTXSID801307578(E)-3-(4-Fluorophenyl)-2-propenalAKOS017390827SY007466TRANS-4-FLUOROCINNAMALDEHYDE, 97%DB-295297

データベース識別子

CAS: 24654-55-5
PubChem CID: 53384379
DTXSID: DTXSID801307578
EC Number: 677-538-3

物性

構造計算による物性

XLogP: 1.9
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 146

物理化学的性質

融点: 24 °C · 24°C
沸点: 102 · 102-104°C
比重(密度): 1.18 · 1.18
屈折率: 1.596 · 1.5960-1.6010
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
外見: clear liquid
色: White to Yellow to Green
InChI: InChI=1S/C9H7FO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H
InChIKey: YSIYEWBILJZDQH-OWOJBTEDSA-N
SMILES: C(=O)C=CC1=CC=C(F)C=C1
CAS データベース: 24654 · 24654-55-5(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 29143990
消防法: 危-4-3-III

化学と産業

応用分野 · 1 件

使用4-Fluorocinnamaldehyde is used as a raw material or reagent in organic synthesis for the production of dyes and various organic compounds. It is also used in the synthesis of new polymers. Moreover, it has been developed as a novel chemosensor probe containing 2-nitro and 4-fluorocinnamaldehyde and applied to anion recognition and sensing processes.