2'-ヒドロキシ-1'-アセトナフトン

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

HCID 68455CAS 574-19-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(=O)c1c(O)ccc2ccccc12
InChIKey: VUIOUIWZVKVFCI-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-(2-Hydroxy-1-naphthyl)ethan-1-one
IUPAC: 1-(2-hydroxynaphthalen-1-yl)ethanone
現地名: 2'-ヒドロキシ-1'-アセトナフトン
英語名: 2'-HYDROXY-1'-ACETONAPHTHONE
分子式: C12H10O2
分子量: 186.21

名称と別名

574-19-61-Acetyl-2-naphthol1-(2-Hydroxy-1-naphthyl)ethan-1-oneEINECS 209-369-4AI3-09312DTXSID10205988RefChem:422176DTXCID40128479209-369-42'-Hydroxy-1'-acetonaphthone1-(2-hydroxynaphthalen-1-yl)ethanone1-(2-Hydroxy-1-naphthalenyl)ethanone

名称をさらに表示

2'-ヒドロキシ-1'-アセトナフトンメチル2-ヒドロキシ-1-ナフチルケトン1-アセチル-2-ナフトールメチル(2-ヒドロキシ-1-ナフチル)ケトン1-(2-ヒドロキシ-1-ナフチル)エタノン1-アセチル-2-ヒドロキシナフタレン2-ヒドロキシ-1-アセトナフトン2-ヒドロキシ-1-アセトナフトン, 98%1-(2-ヒドロキシナフタレン-1-イル)エタン-1-オン2′-ヒドロキシ-1′-アセトナフトンNaproxen Impurity 181-Acetyl-2-naphthol,98%2-Hydroxy-1-acetonaphtone2'-HYDROXY-1'-ACTONAPHTHONE1-Acetyl-2-hydroxynaphthlene

1-(2-Hydroxy-1-naphthyl)ethanone1-(2-hydroxynaphthalen-1-yl)ethan-1-one2-Hydroxy-1-acetonaphthoneEthanone, 1-(2-hydroxy-1-naphthalenyl)-MFCD000121311-Acetylnaphthalen-2-ol1-Acetyl-2-hydroxynaphthalene1'-Acetonaphthone, 2'-hydroxy-

データベース識別子

CAS: 574-19-6
PubChem CID: 68455
DTXSID: DTXSID10205988
EC Number: 209-369-4
Nikkaji: J95.010F

物性

構造計算による物性

XLogP: 3.1
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: 65 · 65-67 °C(lit.)
沸点: 130 · 130-132°C 2mm
比重(密度): 1.1032 · 1.1032 (rough estimate)
屈折率: 1.601 · 1.6010 (estimate)
闪点: 130 · 130-132°C/2mm
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 8.12 · 8.12±0.50(Predicted)
色: Light yellow to Brown to Dark green
BRN: 1869900 · 1869900
InChI: 1S/C12H10O2/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-7,14H,1H3
InChIKey: VUIOUIWZVKVFCI-UHFFFAOYSA-N
SMILES: CC(=O)c1c(O)ccc2ccccc12
CAS データベース: 574 · 574-19-6

化学的性質

化学的特性light yellow fine crystalline powder

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 (97.8%): 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 46 reports by companies from 6 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.