6-フルオロ-m-アニスアルデヒド

2-Fluoro-5-methoxybenzaldehyde

HCID 2734872CAS 105728-90-3

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1ccc(F)c(C=O)c1
InChIKey: DKIQXHIAEMGZGO-UHFFFAOYSA-N
分子式: C8H7FO2
平均分子量: 154.14 g/mol
単同位体質量: 154.04300768

名称と識別子

優先名称: 2-Fluoro-5-methoxybenzaldehyde
IUPAC: 2-fluoro-5-methoxybenzaldehyde
現地名: 6-フルオロ-m-アニスアルデヒド
英語名: 2-Fluoro-5-methoxybenzaldehyde
分子式: C8H7FO2
分子量: 154.14

名称と別名

2-Fluoro-5-methoxybenzaldehyde105728-90-3DTXSID70370545RefChem:87101DTXCID00321580600-676-26-Fluoro-m-anisaldehydeMFCD000707952-fluoro-5-methoxy-benzaldehydeSCHEMBL3871862-fluoro-5-(methyloxy)benzaldehydeCL8283

名称をさらに表示

6-フルオロ-m-アニスアルデヒド2-フルオロ-5-メトキシベンズアルデヒドuoro-5-methoxybenzaLFluoro-5-Methoxybenzaldeh6-Fluoro-m-anisaldehyde>2-FLUORO-5ETHOXYBENZALDEHYDE1-tert-butoxycarb-3-pyrrolidoneBenzaldehyde,2-fluoro-5-methoxy-2-Fluoro-5-methoxybenzaldehyde98%2-Fluoro-5-methoxybenzaldehyde 98%

AC-3839DS-12023Z1203161971Benzaldehyde, 2-fluoro-5-methoxy-2-Fluoro-5-methoxy benzaldehydeAM612742-Fluoro-5-methoxy benzaldSCHEMBL6212996

データベース識別子

CAS: 105728-90-3
PubChem CID: 2734872
DTXSID: DTXSID70370545
EC Number: 600-676-2
Nikkaji: J1.641.193K

物性

構造計算による物性

XLogP: 1.5
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

物理化学的性質

融点: 48 · 48-50 °C
沸点: 229 · 229-230 °C (lit.)
比重(密度): 1.237 g/mL · 1.237 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.532(lit.)
闪点: 226 °F · 226 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: powder to lump to clear liquid
色: White or Colorless to Yellow
水溶解度: 水にわずかに溶ける。
BRN: 4379088 · 4379088
InChI: InChI=1S/C8H7FO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-5H,1H3
InChIKey: DKIQXHIAEMGZGO-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(OC)=CC=C1F
CAS データベース: 105728 · 105728-90-3(CAS DataBase Reference)

化学的性質

化学的特性clear yellow liquid

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 50 reports by companies from 8 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: 36/37/38-22
hazard_code: Xi,Xn
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: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用2-Fluoro-5-methoxybenzaldehyde may be used in the synthesis of:5,10,15,20-tetrakis(2-fluoro-5-methoxyphenyl)porphyrinaryl(2-fluoro-5-methoxyphenyl)methanones5′-methoxy-4-nitro-2,2′,5-trifluorobenzophenone2-(2-fluoro-5-methoxybenzylidene)-1-(5-bromo-2-morpholinopyrimidin-4-yl) hydrazine

一般的な説明2-Fluoro-5-methoxybenzaldehyde can be prepared starting from 2-amino-5-methoxytoluene.