3'-フルオロ-4'-メチルアセトフェノン

1-(3-Fluoro-4-methylphenyl)ethan-1-one

HCID 2774569

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 42444-14-4
標準SMILES: CC(=O)c1ccc(C)c(F)c1
InChIKey: XAMNMGLEJNLUIH-UHFFFAOYSA-N
分子式: C9H9FO
平均分子量: 152.16 g/mol
単同位体質量: 152.06374313

名称と識別子

優先名称: 1-(3-Fluoro-4-methylphenyl)ethan-1-one
IUPAC: 1-(3-fluoro-4-methylphenyl)ethanone
現地名: 3'-フルオロ-4'-メチルアセトフェノン
英語名: 3'-Fluoro-4'-methylacetophenone
分子式: C9H9FO
分子量: 152.17

名称と別名

1-(3-fluoro-4-methylphenyl)ethan-1-oneRefChem:423807670-266-63'-Fluoro-4'-methylacetophenone42444-14-41-(3-fluoro-4-methylphenyl)ethanoneMFCD016314113-Fluoro-4-methylacetophenoneAKOS0091576801-(3-Fluoro-4-methyl-phenyl)ethanoneSY101084CS-0093746

名称をさらに表示

3'-フルオロ-4'-メチルアセトフェノン3-フルオロ-4-メチルアセトフェノン3'-fluoro-4'-methylbenzenethyloneEthanone, 1-(3-fluoro-4-methylphenyl)-1-(3-Fluoro-4-methylphenyl)ethanone - [F93043]3′-Fluoro-4′-methylacetophenone, CAS 42444-14-41-(3-Fluoro-4-methylphenyl)ethan-1-one, 4-Acetyl-2-fluorotoluene

Z5137354321-acetyl-3-fluoro-4-methylbenzeneFT-0647717A872885SCHEMBL1926473SCHEMBL7255048SCHEMBL30881474DTXSID40379101

データベース識別子

CAS: 42444-14-4
PubChem CID: 2774569
DTXSID: DTXSID40379101
EC Number: 670-266-6

物性

構造計算による物性

XLogP: 2.1
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: 11
形式電荷: 0
複雑度: 156

物理化学的性質

融点: 31 · 31-34°C
沸点: 217.5 · 217.5±20.0 °C(Predicted)
比重(密度): 1.075 · 1.075±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.