1'-Hydroxy-2'-acetonaphthone (HCID 69733)

概要

a fluorescent proton transfer probe; structure in first source

名称と識別子

優先名称: 1'-Hydroxy-2'-acetonaphthone
IUPAC: 1-(1-hydroxynaphthalen-2-yl)ethanone
現地名: 1'-ヒドロキシ-2'-アセトナフトン
英語名: 1'-Hydroxy-2'-acetonaphthone
分子式: C12H10O2
分子量: 186.21

名称と別名

1'-Hydroxy-2'-acetonaphthoneRefChem:433111711-79-52-Acetyl-1-naphthol1-(1-hydroxynaphthalen-2-yl)ethanone1-Hydroxy-2-acetylnaphthalene1-(1-hydroxynaphthalen-2-yl)ethan-1-one1-Hydroxy-2-acetonaphthone2-Acetyl-1-hydroxynaphthaleneMFCD000039631-(1-Hydroxy-2-naphthyl)ethanone1-(1-Hydroxy-naphthalen-2-yl)-ethanone

名称をさらに表示

1'-ヒドロキシ-2'-アセトナフトン1-(1-ヒドロキシ-2-ナフチル)エタノン2-アセチルナフタレン-1-オール1-ヒドロキシ-2-アセチルナフタレンメチル1-ヒドロキシ-2-ナフチルケトンメチル(1-ヒドロキシ-2-ナフチル)ケトン2-アセチル-1-ナフトール1-ヒドロキシ-2-アセトナフトン1′-ヒドロキシ-2′-アセトナフトン2-アセチル-1-ヒドロキシナフタレン2‐アセチル‐1‐ナフトール1-ヒドロキシ-2-アセトナフトン, 99%TIMTEC-BB SBB010063RARECHEM BW GA 0421LABOTEST-BB LT000685572-Acetyl-1-naphthol 99%2-Acetyl-1-naphthol,99%ASINEX-REAG BAS 07629298Ethanone, 1-(1-Hydroxy-2-

Ethanone, 1-(1-hydroxy-2-naphthalenyl)-2'-Acetonaphthone, 1'-hydroxy-1-Hydroxy-2-naphthyl methyl ketone2-Aceto-1-naphthol3',4'-Benzo-2'-hydroxyacetophenone1-(1-Hydroxy-2-naphthalenyl)ethanoneNSC 4973N3BKY69086

データベース識別子

CAS: 711-79-5
PubChem CID: 69733
DTXSID: DTXSID4061044
ChEMBL: CHEMBL569194
UNII: N3BKY69086
EC Number: 211-918-8
Nikkaji: J1.557.078D、J79.921A

物性

構造計算による物性

XLogP: 2.8
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

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

物理化学的性質

融点: 98 · 98-100 °C(lit.)
沸点: 280.69 °C · 280.69°C (rough estimate)
比重(密度): 1.1032 · 1.1032 (rough estimate)
屈折率: 1.6086 · 1.6086 (estimate)
貯蔵温度: 2 · 2-8°C, stored under nitrogen
外見: 結晶性粉末
酸解離定数(Pka): 1 · pK1: 13.40 (30°C)
色: 黄色
水溶解度: 水に不溶。
BRN: 1868084 · 1868084
InChI: InChI=1S/C12H10O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-7,14H,1H3
InChIKey: JBGJVMVWYWUVOW-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C2C(=C1O)C=CC=C2)C
EPAの化学物質情報: 1 · Ethanone, 1-(1-hydroxy-2-naphthalenyl)- (711-79-5)

化学的性質

化学的特性yellow crystalline powder

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 44 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

wgk: 3
tsca: TSCA listed
hs_code: 29145000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationEthanone, 1-(1-hydroxy-2-naphthalenyl)-: INACTIVE

応用分野 · 3 件

用途有機合成原料。

使用2-acetyl-1-naphthol and 1-acetyl-2-naphthol with triphosgene gave naphtho[1,2-e]-1,3-oxazines, naphtho[2,1-e]-1,3-oxazines or their spiro dimers depending on the molar ratio of triphosgene used for the cyclization.

一般的な説明The modulation of different photophysical properties of 1′-hydroxy-2′-acetonaphthone (HAN), after encapsulating into the hydrophobic nanocavities of various bile salt aggregates, was studied.