2-Hydroxy-5-(trifluoromethyl)pyridine (HCID 147443)

概要

structure in first source

名称と識別子

優先名称: 2-Hydroxy-5-(trifluoromethyl)pyridine
IUPAC: 5-(trifluoromethyl)-1H-pyridin-2-one
現地名: 5-(トリフルオロメチル)-2-ピリジノン
英語名: 2-Hydroxy-5-trifluoromethylpyridine
分子式: C6H4F3NO
分子量: 163.1

名称と別名

33252-63-02-Hydroxy-5-(trifluoromethyl)pyridine2(1H)-Pyridinone, 5-(trifluoromethyl)-1CCP81H07BRefChem:473259627-625-75-(trifluoromethyl)pyridin-2-ol2-Hydroxy-5-trifluoromethylpyridine5-(trifluoromethyl)-1H-pyridin-2-oneMFCD000423155-(Trifluoromethyl)-2-pyridinol5-(Trifluoromethyl)-2-pyridone

名称をさらに表示

5-(トリフルオロメチル)-2-ピリジノン5-(トリフルオロメチル)-2-ピリドン2-ヒドロキシ-5-(トリフルオロメチル)ピリジン2-ヒドロキシ-5-トリフルオロメチルピリジン5-(トリフルオロメチル)-2-ピリジノール5-(トリフルオロメチル)-2(1H)-ピリジノン5-(トリフルオロメチル)ピリジン-2(1H)-オン5-(トリフルオロメチル)ピリジン-2-オール5-(トリフルオロメチル)-1,2-ジヒドロピリジン-2-オン2-Hydroxy-5-(tBUTTPARK 24\01-67Fampridine Impurity 2165-Trifluoromethyl-Pyridin-2-Hydroxy-5-(trifluoroMethyl)pyr5-(Trifluoromethyl)-2-pyridinone

5-(trifluoromethyl)-1,2-dihydropyridin-2-one5-(Trifluoromethyl)-2(1H)-pyridinone5-(Trifluoromethyl)pyridin-2(1H)-one5-trifluoromethyl-pyridin-2-ol79894-13-65-(trifluoromethyl)pyridin-2-one5-trifluoromethyl-2(1h)-pyridone5-(trifluoromethyl)-2-(1H)-pyridone

データベース識別子

CAS: 33252-63-0
PubChem CID: 147443
DTXSID: DTXSID8044387
ChEMBL: CHEMBL5424775
UNII: 1CCP81H07B
EC Number: 627-625-7
Nikkaji: J1.248.517D

物性

構造計算による物性

XLogP: 0.6
極性表面積: 29.1 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 239

実験および物理化学的性質

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

物理化学的性質

融点: 145 · 145-149 °C (lit.)
沸点: 221.2 · 221.2±40.0 °C(Predicted)
比重(密度): 1.398 · 1.398±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: DMSO (可溶性)、エタノール (少量)、メタノール (少量)
酸解離定数(Pka): 9.55 · 9.55±0.10(Predicted)
外見: 結晶性粉末
色: 白からベージュ
InChI: InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)
InChIKey: BYRJSCNPUHYZQE-UHFFFAOYSA-N
SMILES: C1(=O)NC=C(C(F)(F)F)C=C1
CAS データベース: 33252 · 33252-63-0(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2(1H)-Pyridinone, 5-(trifluoromethyl)- (33252-63-0)

化学的性質

化学的特性Yellow to brown powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 77 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationRegulation (EC) No 1107/2009 (amended)

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29339900
risk_code: 36/37/38-65-20/21/22-20/21
hazard_code: Xi,Xn
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

応用分野 · 3 件

用途有機合成原料。

使用2-Hydroxy-5-(trifluoromethyl)pyridine (cas# 33252-63-0) is a compound useful in organic synthesis.

一般的な説明2-Hydroxy-5-(trifluoromethyl)pyridine, a pyridine derivative, is a heterocyclic building block. They have useful applications in catalysis, drug design, molecular recognition, and natural product synthesis.