2-(フェニルスルホニル)エタノール

2-(Phenylsulfonyl)ethanol

HCID 30202CAS 20611-21-6

部分構造検索類似構造を探す

基本情報

標準SMILES: O=S(=O)(CCO)c1ccccc1
InChIKey: PQVYYVANSPZIKE-UHFFFAOYSA-N
分子式: C8H10O3S
平均分子量: 186.23 g/mol
単同位体質量: 186.03506535

名称と識別子

優先名称: 2-(Phenylsulfonyl)ethanol
IUPAC: 2-(benzenesulfonyl)ethanol
現地名: 2-(フェニルスルホニル)エタノール
英語名: 2-(PHENYLSULFONYL)ETHANOL
分子式: C8H10O3S
分子量: 186.23

名称と別名

2-(Phenylsulfonyl)ethanolETHANOL, 2-(PHENYLSULFONYL)-BRN 1952741Phenyl-2-hydroxyethyl sulfoneDTXSID901746234-06-00-01494 (Beilstein Handbook Reference)RefChem:84866DTXCID0097114626-035-7PQVYYVANSPZIKE-UHFFFAOYSA-N20611-21-62-(Benzenesulfonyl)ethanol

名称をさらに表示

フェニル(2-ヒドロキシエチル)スルホン2-(フェニルスルホニル)エタノール2-ヒドロキシエチルフェニルスルホン2-(ベンゼンスルホニル)エタン-1-オール2-(Phenylsulfobyl)Ethanol2-(phenylsulfonyl)-ethano2-Hydroxyethylphenyl sulfone2-(Phenylsulfonyl)ethanol,97%Phenyl(2-hydroxyethyl) sulfone

2-benzenesulfonyl-ethanolFenyl-2-hydroxyethylsulfon2-(phenylsulphonyl)ethanolMFCD001341792-Phenylsulfonylethanol2-(Benzenesulfonyl)Ethan-1-Ol2-(phenylsulfonyl) ethanol2-(Phenylsulfonyl)-ethanol

データベース識別子

CAS: 20611-21-6
PubChem CID: 30202
DTXSID: DTXSID90174623
EC Number: 626-035-7
Nikkaji: J34.769H

物性

構造計算による物性

XLogP: 0.6
極性表面積: 62.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 209

物理化学的性質

融点: 121.5 °C · 121.5 °C
沸点: 177 °C · 177 °C (2 mmHg)
比重(密度): 1.557 g/mL · 1.557 g/mL at 25 °C(lit.)
屈折率: 1.554 · 1.554-1.556
闪点: 113 °C · 113 °C
酸解離定数(Pka): 13.26 · 13.26±0.10(Predicted)
比重: 1.557 · 1.557
CAS データベース: 20611 · 20611-21-6

化学的性質

化学的特性colorless to pale yellow liquid

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 (100%): 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 41 reports by companies from 4 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.