5-(4-クロロフェニル)-2-フルアルデヒド

5-(4-Chlorophenyl)-2-furaldehyde

HCID 676184CAS 34035-03-5

部分構造検索類似構造を探す

基本情報

標準SMILES: O=Cc1ccc(-c2ccc(Cl)cc2)o1
InChIKey: ROJGJNINTRCMBL-UHFFFAOYSA-N
分子式: C11H7ClO2
平均分子量: 206.62 g/mol
単同位体質量: 206.01345714

名称と識別子

優先名称: 5-(4-Chlorophenyl)-2-furaldehyde
IUPAC: 5-(4-chlorophenyl)furan-2-carbaldehyde
現地名: 5-(4-クロロフェニル)-2-フルアルデヒド
英語名: 5-(4-Chlorophenyl)-2-furaldehyde
分子式: C11H7ClO2
分子量: 206.63

名称と別名

34035-03-55-(4-chlorophenyl)-2-furaldehydeDTXSID00350254RefChem:530275DTXCID60301323623-617-25-(4-chlorophenyl)furan-2-carbaldehyde5-(4-Chlorophenyl)furfuralMFCD001959475-(4-Chloro-phenyl)-furan-2-carbaldehyde5-(4-Chlorophenyl)-2-furancarboxaldehyde2-Furancarboxaldehyde, 5-(4-chlorophenyl)-

名称をさらに表示

5-(4-クロロフェニル)-2-フルアルデヒドAKOS B004122AKOS BAR-0548AURORA KA-4235ASISCHEM N16482ZERENEX E/4047331TIMTEC-BB SBB003482ART-CHEM-BB B0041225-(4-CHLOROPHENYL)-2-FURALDEHYD5-(4-Chlorophenyl)furfural, 95+%

2-FORMYL-5-(4-CHLOROPHENYL)FURAN5-(4-Chlorophenyl)furan-2-carboxaldehydeCambridge id 7179578CHEMBL375867SCHEMBL1143469SCHEMBL2322085ROJGJNINTRCMBL-UHFFFAOYSA-N5-(p-chlorophenyl)-2-furaldehyde

データベース識別子

CAS: 34035-03-5
PubChem CID: 676184
DTXSID: DTXSID00350254
ChEMBL: CHEMBL375867
EC Number: 623-617-2
Nikkaji: J892.674C

物性

構造計算による物性

XLogP: 3.1
極性表面積: 30.2 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: 14
形式電荷: 0
複雑度: 199

実験および物理化学的性質

SpringerMaterials PropertiesChemical structure

物理化学的性質

融点: 128 · 128-131 °C (lit.)
沸点: 350.7 · 350.7±32.0 °C(Predicted)
比重(密度): 1.282 · 1.282±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: 針
色: ペールブラウン
InChI: 1S/C11H7ClO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H
InChIKey: ROJGJNINTRCMBL-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1)-c2ccc(C=O)o2
CAS データベース: 34035 · 34035-03-5(CAS DataBase Reference)

化学的性質

化学的特性Pale brown needles

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29321900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用5-(4-Chlorophenyl)furfural is a metabolite of Azimilide (A926950, 2 HCl); an oral type III potassium channel blocker agent that blocks both the rapid activating component and the slow activating component of the delayed rectifier potassium current. Both preclinical and clinical studies have demonstrated the efficacy of Azimilide and its safety in the treatment of supraventricular and ventricular tachyarrhythmia. Azimilide is also being studied in a worldwide multicenter trial for prevention of sudden cardiac death in patients after myocardial infarction.

一般的な説明5-(4-Chlorophenyl)furfural is a furfural derivative.