6-アセチル-2-ナフトール

1-(6-Hydroxy-2-naphthyl)ethan-1-one

HCID 82631

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 10441-41-5
標準SMILES: CC(=O)c1ccc2cc(O)ccc2c1
InChIKey: IWRHUCBSLVVLJD-UHFFFAOYSA-N
分子式: C12H10O2
平均分子量: 186.21 g/mol
単同位体質量: 186.06807956

名称と識別子

優先名称: 1-(6-Hydroxy-2-naphthyl)ethan-1-one
IUPAC: 1-(6-hydroxynaphthalen-2-yl)ethanone
現地名: 6-アセチル-2-ナフトール
英語名: 1-(6-hydroxy-2-naphthyl)ethan-1-one
分子式: C12H10O2
分子量: 186.21

名称と別名

1-(6-Hydroxy-2-naphthyl)ethan-1-oneEINECS 233-923-4DTXSID50146467NSC 139891RefChem:426779DTXCID9068958233-923-410441-41-51-(6-hydroxynaphthalen-2-yl)ethanone1-(6-hydroxynaphthalen-2-yl)ethan-1-one6-ACETYL-2-NAPHTHOL1-(6-hydroxy-2-naphthyl)ethanone

名称をさらに表示

メチル(6-ヒドロキシ-2-ナフチル)ケトン6-アセチル-2-ナフトール1-(6-ヒドロキシナフタレン-2-イル)エタン-1-オン6-アセチルナフタレン-2-オール135354Naproxen Impurity 176-Acetyl-2-naphthol，98%ｍｉｎMethyl(6-hydroxy-2-naphtyl) ketone

MFCD001277091-(6-Hydroxy-2-naphthalenyl)ethanoneEthanone, 1-(6-hydroxy-2-naphthalenyl)-NSC139891Naproxen Impurity 522-hydroxy-6-acetylnaphthalene6-hydroxy-2-acetylnaphthaleneSCHEMBL1177919

データベース識別子

CAS: 10441-41-5
PubChem CID: 82631
DTXSID: DTXSID50146467
EC Number: 233-923-4
Nikkaji: J81.507A

物性

構造計算による物性

XLogP: 2.7
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 224

物理化学的性質

融点: 171 °C · 171 °C(Solv: benzene (71-43-2))
沸点: 370.1 · 370.1±15.0 °C(Predicted)
比重(密度): 1.36 g/cm3 · 1.36 g/cm3
貯蔵温度: -20 °C · -20°C Freezer
溶解性: クロロホルム（微量、加熱、超音波処理）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 8.75 · 8.75±0.40(Predicted)
色: オフホワイトからペールイエロー

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.