5-ヒドロキシ-1-インダノン

5-Hydroxy-1-indanone

HCID 233147CAS 3470-49-3

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C1CCc2cc(O)ccc21
InChIKey: ZRKQOVXGDIZYDS-UHFFFAOYSA-N
分子式: C9H8O2
平均分子量: 148.16 g/mol
単同位体質量: 148.0524295

名称と識別子

優先名称: 5-Hydroxy-1-indanone
IUPAC: 5-hydroxy-2,3-dihydroinden-1-one
現地名: 5-ヒドロキシ-1-インダノン
英語名: 5-Hydroxy-1-indanone
分子式: C9H8O2
分子量: 148.16

名称と別名

5-Hydroxy-1-indanoneDTXSID70283404RefChem:536149DTXCID50234555627-457-43470-49-35-hydroxy-2,3-dihydro-1H-inden-1-one5-hydroxyindan-1-one5-Hydroxyindanone5-hydroxy-2,3-dihydroinden-1-oneMFCD008575271H-Inden-1-one, 2,3-dihydro-5-hydroxy-

名称をさらに表示

5-ヒドロキシ-1-インダノン5-ヒドロキシ-2,3-ジヒドロ-1H-インデン-1-オン5-hydry-1-indanoneIFLAB-BB F2108-01445-Hydroxyl-1-indanone5-Hydroxy-1-indanone>5-Hydroxy-1-indanone 95%5-Hydroxyindan-1-one 97%2,3-Dihydro-5-hydroxy-1H-inden-1-one

1-oxo-5-indanol5-hydroxy-indan-1-one5-hydroxy-2,3-dihydro-1H-indene-1-one5-Hydroxy-1-indanone, 95%AKOS005207246Z1255457932NSC312495-Hydroxy-1-i

データベース識別子

CAS: 3470-49-3
PubChem CID: 233147
DTXSID: DTXSID70283404
EC Number: 627-457-4
Nikkaji: J20.945G

物性

構造計算による物性

XLogP: 1.3
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: 11
形式電荷: 0
複雑度: 176

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

物理化学的性質

融点: 175 °C · 175 °C (dec.) (lit.)
沸点: 251 °C · 251 °C
比重(密度): 1.305 · 1.305±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 8.15 · 8.15±0.20(Predicted)
色: White to Light yellow to Light orange
InChI: InChI=1S/C9H8O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,10H,1,4H2
InChIKey: ZRKQOVXGDIZYDS-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(O)C=C2)CC1
CAS データベース: 3470 · 3470-49-3(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystal 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 42 reports by companies from 5 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
hazard_note: Irritant
safety_code: 26-36-36/37/39-27
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

応用分野 · 2 件

使用5-Hydroxy-1-indanone may be used in the preparation of (5-hydroxy-indan-(1E)-ylidene)-acetic acid and 5-[2-(phenyl)ethoxy]-1-indanone. It may be used as a starting material in the multi-step synthesis of 5H-indeno[1,2-c]pyridazin-5-one analogs.

一般的な説明5-Hydroxy-1-indanone is a 1-indanone derivative.