2-ヒドロキシフェノキシ酢酸

(o-Hydroxyphenoxy)acetic acid

HCID 22783

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 6324-11-4
標準SMILES: O=C(O)COc1ccccc1O
InChIKey: LPXHPAYRONCQIF-UHFFFAOYSA-N
分子式: C8H8O4
平均分子量: 168.15 g/mol
単同位体質量: 168.04225873

名称と識別子

優先名称: (o-Hydroxyphenoxy)acetic acid
IUPAC: 2-(2-hydroxyphenoxy)acetic acid
現地名: 2-ヒドロキシフェノキシ酢酸
英語名: 2-HYDROXYPHENOXYACETIC ACID
分子式: C8H8O4
分子量: 168.15

名称と別名

2-(2-hydroxyphenoxy)acetic acid6324-11-4(o-Hydroxyphenoxy)acetic acidDTXSID80212629EINECS 228-684-8NSC 30092RefChem:406712DTXCID60135120228-684-8InChI=1/C8H8O4/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4,9H,5H2,(H,10,112-Hydroxyphenoxyacetic Acid(2-Hydroxyphenoxy)acetic acid

名称をさらに表示

(2-ヒドロキシフェノキシ)酢酸2-ヒドロキシフェノキシ酢酸2-(2-ヒドロキシフェノキシ)酢酸2-Hydroxyphenoxyacetic acid, 98+%Acetic acid, 2-?(2-?hydroxyphenoxy)?-

MFCD00015454acetic acid, 2-(2-hydroxyphenoxy)-NSC-30092Acetic acid, (hydroxyphenoxy)-2-(Hydroxyphenoxy)acetic acidEnamine_0047112-(carboxymethoxy)phenolB68RKX6TNJ

データベース識別子

CAS: 6324-11-4
PubChem CID: 22783
DTXSID: DTXSID80212629
ChEMBL: CHEMBL1604900
UNII: B68RKX6TNJ
EC Number: 228-684-8
Nikkaji: J265.555A

物性

構造計算による物性

XLogP: 0.8
極性表面積: 66.8 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 157

物理化学的性質

融点: 138 · 138-141 °C(lit.)
BRN: 1948566 · 1948566
CAS データベース: 6324 · 6324-11-4

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 40 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.