4'-フルオロ-2'-メトキシアセトフェノン

1-(4-Fluoro-2-methoxyphenyl)ethan-1-one

HCID 142887

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基本情報

CAS: 51788-80-8
標準SMILES: COc1cc(F)ccc1C(C)=O
InChIKey: YOXBPWVWNQROBJ-UHFFFAOYSA-N
分子式: C9H9FO2
平均分子量: 168.16 g/mol
単同位体質量: 168.05865775

名称と識別子

優先名称: 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one
IUPAC: 1-(4-fluoro-2-methoxyphenyl)ethanone
現地名: 4'-フルオロ-2'-メトキシアセトフェノン
英語名: 4-Fluoro-2-methoxyacetophenone
分子式: C9H9FO2
分子量: 168.16

名称と別名

1-(4-fluoro-2-methoxyphenyl)ethanone1-(4-fluoro-2-methoxyphenyl)ethan-1-oneRefChem:425442670-596-051788-80-84-Fluoro-2-methoxyacetophenone4'-Fluoro-2'-methoxyacetophenoneMFCD000611431-(4-fluoro-2-methoxy-phenyl)-ethanoneEthanone, 1-(4-fluoro-2-methoxyphenyl)-1-acetyl-4-fluoro-2-methoxybenzeneSTK802225

名称をさらに表示

4'-フルオロ-2'-メトキシアセトフェノン4-フルオロ-2-メトキシアセトフェノン4'-フルオロ-2'-メトキシアセトフェノン, 97%4'-Fluoro-2'-methoxyacetophenone98%4'-Fluoro-2'-methoxyacetophenone 98%4′-Fluoro-2′-methoxyacetophenone, CAS 51788-80-84'-fluoro-2'-methoxyacetophenone,1-(4-fluoro-2-methoxyphenyl)ethanone

1-(4-fluoro-2-methoxy-phenyl)ethanoneCS-0045026Z3308305844 inverted exclamation mark -Fluoro-2 inverted exclamation mark -methoxyacetophenone2'-Methoxy-4'-fluoroacetophenone4'-Fluoro-2'-methoxyacetophenone,2-METHOXY-4-FLUOROACETOPHENONE4'-Fluoro-2'-methoxy

データベース識別子

CAS: 51788-80-8
PubChem CID: 142887
DTXSID: DTXSID30199714
ChEMBL: CHEMBL4591665
EC Number: 670-596-0
Nikkaji: J1.784.726K

物性

構造計算による物性

XLogP: 1.9
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: 12
形式電荷: 0
複雑度: 170

物理化学的性質

融点: 51 °C · 51 °C
沸点: 228.4 · 228.4±20.0 °C(Predicted)
比重(密度): 1.127 · 1.127±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: crystalline powder
色: White
BRN: 2251986 · 2251986
CAS データベース: 51788 · 51788-80-8(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]

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 7 reports by companies from 4 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

hs_code: 2914500090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT

化学と産業

応用分野

使用4''-Fluoro-2''-methoxyacetophenone

調製方法

製造方法Preparation by reaction of methyl iodide with 4-fluoro-2-hydroxyacetophenone in the presence of potassium carbonate, in DMSO at r.t. for 1 h (100%); in acetone (97%).