4-フルオロ-2-メチルベンズアルデヒド

4-Fluoro-2-methylbenzaldehyde

HCID 2783217

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 63082-45-1
標準SMILES: Cc1cc(F)ccc1C=O
InChIKey: ADCFIKGEGWFWEA-UHFFFAOYSA-N
分子式: C8H7FO
平均分子量: 138.14 g/mol
単同位体質量: 138.04809306

名称と識別子

優先名称: 4-Fluoro-2-methylbenzaldehyde
IUPAC: 4-fluoro-2-methylbenzaldehyde
現地名: 4-フルオロ-2-メチルベンズアルデヒド
英語名: 4-Fluoro-2-methylbenzaldehyde
分子式: C8H7FO
分子量: 138.14

名称と別名

4-Fluoro-2-methylbenzaldehyde63082-45-1DTXSID60382516RefChem:292782DTXCID40333541625-943-0MFCD022617644-fluoro-2-methyl-benzaldehyde4-Fluoro-o-tolualdehyde2-methyl-4-fluorobenzaldehydeBENZALDEHYDE, 4-FLUORO-2-METHYL-SCHEMBL1350147

名称をさらに表示

4-フルオロ-2-メチルベンズアルデヒド5-Fluoro-2-formyltoluene4-Fluoro-2-methylbenzaldehyde>4-Fluoro-2-methylbenzaldehyde 97%Benzaldehyde, 4-fluoro-2-methyl- (9CI)5-Fluoro-2-formyltoluene, 4-Fluoro-o-tolualdehyde

2-Methyl-4-fluoro-benzaldehydeSCHEMBL21201386SBB0521574-Fluoro-2-methylbenzaldehyde, 97%AKOS009159149CS-W002936FF40254PS-9086

データベース識別子

CAS: 63082-45-1
PubChem CID: 2783217
DTXSID: DTXSID60382516
EC Number: 625-943-0
Nikkaji: J2.548.151H

物性

構造計算による物性

XLogP: 1.8
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: 1
重原子数: 10
形式電荷: 0
複雑度: 124

物理化学的性質

沸点: 87 · 87 14mm
比重(密度): 1.144 g/mL · 1.144 g/mL at 25 °C
屈折率: 1.526 · 1.5260
闪点: 82 °C · 82 °C
貯蔵温度: 2 · Inert atmosphere,2-8°C
外見: clear liquid
色: Colorless to Almost colorless
InChI: 1S/C8H7FO/c1-6-4-8(9)3-2-7(6)5-10/h2-5H,1H3
InChIKey: ADCFIKGEGWFWEA-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(F)cc1C
CAS データベース: 63082 · 63082-45-1(CAS DataBase Reference)

化学的性質

化学的特性Clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H315 (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 48 reports by companies from 7 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: 29130000
risk_code: 36/37/38-41-37/38
消防法: 危-4-3-III
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-39
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

使用4-FLUORO-2-METHYLBENZALDEHYDE is a useful research chemical.

調製方法

純化方法The aldehyde has been purified by gas chromatography and should be kept under N2 as it readily oxidizes in air [Burgess et al. Aust J Chem 30 543 1977].