2-フルオロ-4-メトキシフェノール

2-Fluoro-4-methoxyphenol

HCID 2774557

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 167683-93-4
標準SMILES: COc1ccc(O)c(F)c1
InChIKey: FCJHBXCQIOVMEM-UHFFFAOYSA-N
分子式: C7H7FO2
平均分子量: 142.13 g/mol
単同位体質量: 142.04300762

名称と識別子

優先名称: 2-Fluoro-4-methoxyphenol
IUPAC: 2-fluoro-4-methoxyphenol
現地名: 2-フルオロ-4-メトキシフェノール
英語名: 2-Fluoro-4-methoxyphenol
分子式: C7H7FO2
分子量: 142.13

名称と別名

2-Fluoro-4-methoxyphenol167683-93-4DTXSID70379098RefChem:87082DTXCID70330124605-485-8Phenol, 2-fluoro-4-methoxy-MFCD000707963-Fluoro-4-hydroxyanisole2-fluoro-4-methoxy-phenolAKOS005254570PS-9005

名称をさらに表示

2-フルオロ-4-メトキシフェノール3-フルオロ-4-ヒドロキシアニソール2-Fluoro-4-methoxyphenol>2-Fluoro-4-methoxyphenol 97%Phenol, 2-fluoro-4-methoxy- (9CI)2-fluoro-4-methoxyphenol - [F21718]2-Fluorohydroquinonemonomethylether(OH=1)3-Fluoro-4-hydroxyanisole, 2-Fluoro-p-guaiacol

SY050850CS-0150491F0634EN300-1830590AMY28070A8108942-fluoranyl-4-methoxy-phenolSCHEMBL459327

データベース識別子

CAS: 167683-93-4
PubChem CID: 2774557
DTXSID: DTXSID70379098
EC Number: 605-485-8

物性

構造計算による物性

XLogP: 1.7
極性表面積: 29.5 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: 1
重原子数: 10
形式電荷: 0
複雑度: 108

物理化学的性質

沸点: 94 °C/4mmHg · 94°C/4mmHg
比重(密度): 1.27 · 1.27
屈折率: 1.524 · 1.5240-1.5280
貯蔵温度: 2 · 2-8°C
外見: clear liquid
酸解離定数(Pka): 9.19 · 9.19±0.18(Predicted)
色: White to Yellow to Green
CAS データベース: 167683 · 167683-93-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): 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 (50%): 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 2 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (50%)

安全データ

hs_code: 2909498090
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39

化学と産業

応用分野

使用2-Fluoro-4-methoxyphenol is mainly used as a pharmaceutical intermediate and in the field of chemical research, and has the potential to inhibit inflammatory responses.