4-(トリフルオロメトキシ)フェノキシ酢酸

2-(4-(Trifluoromethoxy)phenoxy)acetic acid

HCID 697705

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 72220-50-9
標準SMILES: O=C(O)COc1ccc(OC(F)(F)F)cc1
InChIKey: QHSBEEUEIRDHCD-UHFFFAOYSA-N
分子式: C9H7F3O4
平均分子量: 236.14 g/mol
単同位体質量: 236.02964319

名称と識別子

優先名称: 2-(4-(Trifluoromethoxy)phenoxy)acetic acid
IUPAC: 2-[4-(trifluoromethoxy)phenoxy]acetic acid
現地名: 4-(トリフルオロメトキシ)フェノキシ酢酸
英語名: 4-(Trifluoromethoxy)phenoxyacetic acid
分子式: C9H7F3O4
分子量: 236.14

名称と別名

72220-50-92-(4-(Trifluoromethoxy)phenoxy)acetic acid4-(Trifluoromethoxy)phenoxyacetic acid2-[4-(trifluoromethoxy)phenoxy]acetic acid[4-(trifluoromethoxy)phenoxy]acetic acidMFCD00052352(4-trifluoromethoxy-phenoxy)-acetic acidAcetic acid, [4-(trifluoromethoxy)phenoxy]-Acetic acid, 2-[4-(trifluoromethoxy)phenoxy]-Maybridge1_006105Acetic acid, [4-(trifluoAE-641/13516020

名称をさらに表示

4-(トリフルオロメトキシ)フェノキシ酢酸BUTTPARK 29\08-63AKOS BBS-00002887P-trifluoromethoxyphenoxyacetic acid4-(Trifluoromethoxy)phenoxyaceticacid97%4-(Trifluoromethoxy)phenoxyacetic acid 97%

SCHEMBL656941HMS558N11DTXSID603513234-trifluoromethoxyphenoxyacetic acidALBB-035243SBB040056STK727412AKOS000271180

データベース識別子

CAS: 72220-50-9
PubChem CID: 697705
DTXSID: DTXSID60351323
EC Number: 673-129-9

物性

構造計算による物性

XLogP: 2.4
極性表面積: 55.8 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 4
重原子数: 16
形式電荷: 0
複雑度: 233

物理化学的性質

融点: 84 · 84-86°C
沸点: 282.2 · 282.2±35.0 °C(Predicted)
比重(密度): 1.431 · 1.431±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 3.05 · 3.05±0.10(Predicted)
外見: powder
色: White
CAS データベース: 72220 · 72220-50-9(CAS DataBase Reference)

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 5 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.