2-(トリフルオロメチル)ピリジン-5-酢酸

2-(6-(Trifluoromethyl)pyridin-3-yl)acetic acid

HCID 51695709

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 913839-73-3
標準SMILES: O=C(O)Cc1ccc(C(F)(F)F)nc1
InChIKey: GONSDVSNRVDRPU-UHFFFAOYSA-N
分子式: C8H6F3NO2
平均分子量: 205.13 g/mol
単同位体質量: 205.03506292

名称と識別子

優先名称: 2-(6-(Trifluoromethyl)pyridin-3-yl)acetic acid
IUPAC: 2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
現地名: 2-(トリフルオロメチル)ピリジン-5-酢酸
英語名: (6-Trifluoromethyl-pyridin-3-yl)-acetic acid
分子式: C8H6F3NO2
分子量: 205.13

名称と別名

913839-73-32-(6-(Trifluoromethyl)pyridin-3-yl)acetic acid2-[6-(trifluoromethyl)pyridin-3-yl]acetic acidRefChem:459093815-939-9(6-TRIFLUOROMETHYL-PYRIDIN-3-YL)-ACETIC ACIDMFCD099249852-(TRIFLUOROMETHYL)PYRIDINE-5-ACETIC ACID3-Pyridineacetic acid, 6-(trifluoromethyl)-[6-(trifluoromethyl)-3-pyridinyl]acetic acid6-(TRIFLUOROMETHYL)-3-PYRIDINEACETIC ACIDSCHEMBL263863

名称をさらに表示

2-(トリフルオロメチル)ピリジン-5-酢酸2-[6-(Trifluoromethyl)-3-pyridyl]acetic Acid2-[6-(Trifluoromethyl)pyridin-3-yl]acetic acid 95+%

SCHEMBL300255632-(6-(TRIFLUOROMETHYL)(PYRIDIN-3-YL))ACETIC ACIDAKOS015966393AB55209DS-18035SY113221(6-trifluoromethylpyridin-3-yl)acetic acid(6-TrifluoroMethyl-pyridin-3-yl)-acetic aci

データベース識別子

CAS: 913839-73-3
PubChem CID: 51695709
EC Number: 815-939-9

物性

構造計算による物性

XLogP: 1.2
極性表面積: 50.2 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: 14
形式電荷: 0
複雑度: 217

物理化学的性質

沸点: 282.6 · 282.6±35.0 °C(Predicted)
比重(密度): 1.428 · 1.428±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
酸解離定数(Pka): 3.75 · 3.75±0.10(Predicted)

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)

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