2-(4-フルオロフェニル)-2-メチルプロパン酸

2-(4-Fluorophenyl)-2-methylpropanoic acid

HCID 20163803

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 93748-19-7
標準SMILES: CC(C)(C(=O)O)c1ccc(F)cc1
InChIKey: IOSAIRIBZLAABD-UHFFFAOYSA-N
分子式: C10H11FO2
平均分子量: 182.19 g/mol
単同位体質量: 182.07430775

名称と識別子

優先名称: 2-(4-Fluorophenyl)-2-methylpropanoic acid
IUPAC: 2-(4-fluorophenyl)-2-methylpropanoic acid
現地名: 2-(4-フルオロフェニル)-2-メチルプロパン酸
英語名: 2-(4-Fluorophenyl)-2-methylpropanoic acid
分子式: C10H11FO2
分子量: 182.19

名称と別名

2-(4-fluorophenyl)-2-methylpropanoic acid93748-19-7DTXSID20603193RefChem:252356DTXCID50553950821-612-1MFCD110369162-(4-Fluorophenyl)-2-methylpropionic acidSCHEMBL1421745AC7352AKOS000745559BS-24617

名称をさらに表示

2-(4-フルオロフェニル)-2-メチルプロパン酸Benzeneacetic acid, 4-fluoro-α,α-dimethyl-

SY0235112-(4-fluorophenyl)-2-methylpropanoicacidBCP100722-(4-fluorophenyl)-2-methyl-propanoic acidCS-00944682-(4-fluoro-phenyl)-2-methyl-propionic acidEN300-68812F377835

データベース識別子

CAS: 93748-19-7
PubChem CID: 20163803
DTXSID: DTXSID20603193
EC Number: 821-612-1

物性

構造計算による物性

XLogP: 2.4
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: 3
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 193

物理化学的性質

沸点: 268.8 · 268.8±15.0 °C(Predicted)
比重(密度): 1.175 · 1.175±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 4.36 · 4.36±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 29 reports by companies from 2 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.