2-ヒドロキシ-9-フルオレノン

2-Hydroxyfluoren-9-one

HCID 81386CAS 6949-73-1

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C1c2ccccc2-c2ccc(O)cc21
InChIKey: GXUBPHMYNSICJC-UHFFFAOYSA-N
分子式: C13H8O2
平均分子量: 196.2 g/mol
単同位体質量: 196.0524295

名称と識別子

優先名称: 2-Hydroxyfluoren-9-one
IUPAC: 2-hydroxyfluoren-9-one
現地名: 2-ヒドロキシ-9-フルオレノン
英語名: 2-Hydroxy-9-fluorenone
分子式: C13H8O2
分子量: 196.2

名称と別名

2-Hydroxyfluoren-9-oneNSC 22835DTXSID00219716EINECS 230-119-5RefChem:473452DTXCID50142207230-119-52-Hydroxy-9H-fluoren-9-one6949-73-1MFCD00001155DR37FXR63QNSC22835

名称をさらに表示

2-ヒドロキシ-9-フルオレノン2-ヒドロキシ-9H-フルオレン-9-オン2‐ヒドロキシ‐9‐フルオレノン2-Hydroxyfluorenone.2-Hydroxy-9-fluorenone2-Hydroxy-9-fluorenone>2-Hydroxy-9-fluorenone,97%2-Hydroxy-9-fluorenone in toluene2-[(3-chloroanilino)methylidene]propanedinitrile

2-hydroxy-fluoren-9-oneNSC-228352-Hydroxy-9-fluorenone, 98%9H-Fluoren-9-one, 2-hydroxy-CS-W010597AS-58713H0329Z1255485150

データベース識別子

CAS: 6949-73-1
PubChem CID: 81386
DTXSID: DTXSID00219716
ChEMBL: CHEMBL1998832
UNII: DR37FXR63Q
EC Number: 230-119-5
Nikkaji: J208.569K

物性

構造計算による物性

XLogP: 3.3
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: 0
重原子数: 15
形式電荷: 0
複雑度: 274

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点: 204 · 204-206 °C(lit.)
沸点: 293.09 °C · 293.09°C (rough estimate)
比重(密度): 1.1482 · 1.1482 (rough estimate)
屈折率: 1.5954 · 1.5954 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Acetone
酸解離定数(Pka): 9.09 · 9.09±0.20(Predicted)
外見: 粉
色: 黄色からオレンジ
CAS データベース: 6949 · 6949-73-1(CAS DataBase Reference)

化学的性質

化学的特性pink-red to red-brown 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 40 reports by companies from 3 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
hs_code: 29145090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39

化学と産業

応用分野 · 1 件

使用Reactant involved in:One-pot synthesis of aryl substituted auronesStudies to tune HOMO-LUMO levels of 9-fluorenone scaffoldsO-methylation for synthesis of second-generation light driven rotary molecular motorsReactions with aluminum, gallium compounds, and methylquinolinesSynthesis of acridinyl- and fluorenylidenehydrazido calixarenesAcetylation for synthesis of acetates