[5-(トリフルオロメチル)-2-ピリジニル]メタノール

(5-(Trifluoromethyl)pyridin-2-yl)methanol

HCID 3820787

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 31181-84-7
標準SMILES: OCc1ccc(C(F)(F)F)cn1
InChIKey: GVAFEGOUIQFLQH-UHFFFAOYSA-N
分子式: C7H6F3NO
平均分子量: 177.12 g/mol
単同位体質量: 177.04014847

名称と識別子

優先名称: (5-(Trifluoromethyl)pyridin-2-yl)methanol
IUPAC: [5-(trifluoromethyl)-2-pyridinyl]methanol
現地名: [5-(トリフルオロメチル)-2-ピリジニル]メタノール
英語名: (5-TRIFLUOROMETHYL-PYRIDIN-2-YL) METHANOL
分子式: C7H6F3NO
分子量: 177.12

名称と別名

31181-84-7(5-(trifluoromethyl)pyridin-2-yl)methanol[5-(trifluoromethyl)pyridin-2-yl]methanolDTXSID20396871RefChem:1050559DTXCID50347730812-309-5[5-(trifluoromethyl)-2-pyridinyl]methanol(5-Trifluoromethyl-pyridin-2-yl) methanolMFCD04117762(5-Trifluoromethyl-pyridin-2-yl)methanol(5-trifluoromethyl-pyridin-2-yl)-methanol

名称をさらに表示

[5-(トリフルオロメチル)-2-ピリジニル]メタノール5-(trifluoromethyl)-2-Pyridinemethanol2-Pyridinemethanol, 5-(trifluoromethyl)-2-HydroxyMethyl-5-(TrifluorMethyl)-Pyridine(5-TRIFLUOROMETHYL-PYRIDIN-2-YL) METHANOL ISO 9001：2015 REACH

2-(HYDROXYMETHYL)-5-(TRIFLUOROMETHYL)PYRIDINE[5-(TRIFLUOROMETHYL)-2-PYRIDYL]METHANOLSCHEMBL472531SCHEMBL5262966AR2111SBB089232AKOS006295430AB20728

データベース識別子

CAS: 31181-84-7
PubChem CID: 3820787
DTXSID: DTXSID20396871
EC Number: 812-309-5

物性

構造計算による物性

XLogP: 0.9
極性表面積: 33.1 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 148

物理化学的性質

沸点: 215.5 · 215.5±35.0 °C(Predicted)
比重(密度): 1.362 · 1.362±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 13.16 · 13.16±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.