[2-メチル-6-(トリフルオロメチル)ピリジン-3-イル]メタノール

(2-Methyl-6-(trifluoromethyl)pyridin-3-yl)methanol

HCID 2760122

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 113265-44-4
標準SMILES: Cc1nc(C(F)(F)F)ccc1CO
InChIKey: PXDNFCWBWHATSU-UHFFFAOYSA-N
分子式: C8H8F3NO
平均分子量: 191.15 g/mol
単同位体質量: 191.05579836

名称と識別子

優先名称: (2-Methyl-6-(trifluoromethyl)pyridin-3-yl)methanol
IUPAC: [2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol
現地名: [2-メチル-6-(トリフルオロメチル)ピリジン-3-イル]メタノール
英語名: [2-Methyl-6-(trifluoromethyl)pyridin-3-yl]methanol
分子式: C8H8F3NO
分子量: 191.15

名称と別名

(2-Methyl-6-(trifluoromethyl)pyridin-3-yl)methanol681260-50-4[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methanolDTXSID60375029RefChem:206170DTXCID40326059113265-44-42-Methyl-6-(Trifluoromethyl)pyridine-3-methanolMFCD034079893-Pyridinemethanol, 2-methyl-6-(trifluoromethyl)-SCHEMBL2866080SBB091250

名称をさらに表示

[2-メチル-6-(トリフルオロメチル)ピリジン-3-イル]メタノール2-methyl-6-(trifluoromethyl)-3-Pyridinemethanol[2-Methyl-6-(trifluoromethyl)pyridin-3-yl]methanol97%

AKOS006346486AB14056FS-1439DB-073967CS-0312681H59425EN300-8093389[2-methyl-6-(trifluoromethyl)-3-pyridyl]methanol

データベース識別子

CAS: 113265-44-4、681260-50-4
PubChem CID: 2760122
DTXSID: DTXSID60375029
EC Number: 179-529-5、672-970-9

物性

構造計算による物性

XLogP: 1.3
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: 13
形式電荷: 0
複雑度: 171

物理化学的性質

沸点: 227 ℃ · 227℃
比重(密度): 1.306 · 1.306
闪点: 91 ℃ · 91℃
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 13.39 · 13.39±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 6 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.