4-(5-トリフルオロメチルピリジン-2-イルオキシ)フェノール

4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol

HCID 155241CAS 69045-85-8

部分構造検索類似構造を探す

基本情報

標準SMILES: Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIKey: LXXDBPUREVMTMI-UHFFFAOYSA-N
分子式: C12H8F3NO2
平均分子量: 255.19 g/mol
単同位体質量: 255.05071298

名称と識別子

優先名称: 4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol
IUPAC: 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol
現地名: 4-(5-トリフルオロメチルピリジン-2-イルオキシ)フェノール
英語名: 4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}phenol
分子式: C12H8F3NO2
分子量: 255.19

名称と別名

4-(5-trifluoromethyl-pyridin-2-yloxy)-phenol4-[[5-(Trifluoromethyl)-2-pyridinyl]oxy]phenol4-((5-(Trifluoromethyl)-2-pyridinyl)oxy)phenolRefChem:514804854-811-769045-85-84-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenol4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenol4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenolMFCD00102509Phenol, 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-Phenol, 4-((5-(trifluoromethyl)-2-pyridinyl)oxy)-

名称をさらに表示

4-(5-トリフルオロメチルピリジン-2-イルオキシ)フェノール4-{[5-(トリフルオロメチル)ピリジン-2-イル]オキシ}フェノール

4-[[5-(Trifluoromethyl)-2-pyridinyl]oxy]phenol2-(4-Hydroxyphenoxy)-5-(trifluoromethyl)pyridine4-(5-Trifluoromethyl-2-pyridyloxy)phenol4-(5-Trifluoromethylpyridin-2-yloxy)phenolMaybridge3_004426SCHEMBL906222Fluazifop-P-butyl metabolite 4SCHEMBL8576331SCHEMBL30690168DTXSID60219111LXXDBPUREVMTMI-UHFFFAOYSA-M

データベース識別子

CAS: 69045-85-8
PubChem CID: 155241
DTXSID: DTXSID60219111
EC Number: 854-811-7
Nikkaji: J62.505A

物性

構造計算による物性

XLogP: 2.6
極性表面積: 42.4 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 265

物理化学的性質

融点: 89 · 89 - 91°C
沸点: 341.9 · 341.9±42.0 °C(Predicted)
比重(密度): 1.378 · 1.378±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · -20°C Freezer, Under inert atmosphere
溶解性: クロロホルム（微量）、メタノール（微量）
酸解離定数(Pka): 9.7 · 9.70±0.15(Predicted)
外見: 個体
色: ホワイトからオフホワイト

安全と法規制

GHS分類

GHS Classification · 4 件

H411 (93.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 30 reports by companies from 3 notifications to the ECHA C&L Inventory.；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.