1-(2-フルオロ-6-メトキシフェニル)エタノン

2'-Fluoro-6'-methoxyacetophenone

HCID 2737355

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基本情報

CAS: 120484-50-6
標準SMILES: COc1cccc(F)c1C(C)=O
InChIKey: POHCKHGBDOTACV-UHFFFAOYSA-N
分子式: C9H9FO2
平均分子量: 168.16 g/mol
単同位体質量: 168.05865769

名称と識別子

優先名称: 2'-Fluoro-6'-methoxyacetophenone
IUPAC: 1-(2-fluoro-6-methoxyphenyl)ethanone
現地名: 1-(2-フルオロ-6-メトキシフェニル)エタノン
英語名: 2'-FLUORO-6'-METHOXYACETOPHENONE
分子式: C9H9FO2
分子量: 168.16

名称と別名

120484-50-62'-Fluoro-6'-methoxyacetophenoneDTXSID80372010RefChem:241162DTXCID40323043642-477-31-(2-fluoro-6-methoxyphenyl)ethanoneMFCD006717622-FLUORO-6-METHOXYACETOPHENONE1-(2-fluoro-6-methoxyphenyl)ethan-1-one1-(2-Fluoro-6-methoxy-phenyl)ethanoneEthanone, 1-(2-fluoro-6-methoxyphenyl)-

名称をさらに表示

1-(2-フルオロ-6-メトキシフェニル)エタノン2'-フルオロ-6'-メトキシアセトフェノン2′-Fluoro-6′-methoxyacetophenone, CAS 120484-50-6

SCHEMBL1957640SCHEMBL30313283POHCKHGBDOTACV-UHFFFAOYSA-N1-acetyl-2-fluoro-6-methoxybenzeneCK2586SBB088157XH1023AKOS000221677

データベース識別子

CAS: 120484-50-6
PubChem CID: 2737355
DTXSID: DTXSID80372010
EC Number: 642-477-3

物性

構造計算による物性

XLogP: 1.7
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

沸点: 217 ℃ · 217℃
比重(密度): 1.127 · 1.127
屈折率: 1.508 · 1.508
闪点: 83 ℃ · 83℃
貯蔵温度: Sealed in dry,Room Temperature
外見: liquid
色: Clear, lemon/pale amber

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2914790090
hazard_code: Xi
hazard_note: Irritant

化学と産業

応用分野

使用1-(2-Fluoro-6-methoxyphenyl)ethanone is a useful synthetic intermediate. It is used to prepare spiro[2H-1-benzopyran-2,4''-piperidine] derivatives as glycine transport inhibitors.