CAS 69045-82-5 2-Fluoro-5-(trifluoromethyl)pyridine (HCID 5463754)

基本情報

CAS: 69045-82-5
標準SMILES: Fc1ccc(C(F)(F)F)cn1
InChIKey: UUODQIKUTGWMPT-UHFFFAOYSA-N
分子式: C6H3F4N
平均分子量: 165.09 g/mol
単同位体質量: 165.02016198

名称と識別子

優先名称: 2-Fluoro-5-(trifluoromethyl)pyridine
IUPAC: 2-fluoro-5-(trifluoromethyl)pyridine
現地名: 2-フルオロ-5-(トリフルオロメチル)ピリジン
英語名: 2-Fluoro-5-trifluoromethylpyridine
分子式: C6H3F4N
分子量: 165.09

名称と別名

2-Fluoro-5-(trifluoromethyl)pyridine69045-82-5DTXSID10420174RefChem:87096DTXCID60371021675-387-82-Fluoro-5-trifluoromethylpyridineMFCD07437945Pyridine, 2-fluoro-5-(trifluoromethyl)-2-fluoro-5-trifluoromethyl-pyridineEC 400-290-2SCHEMBL8522

名称をさらに表示

2-フルオロ-5-(トリフルオロメチル)ピリジン2-フルオロ-5-トリフルオロメチルピリジンuoro-6-(trifL2-Fluoro-5-(Trichloromethyl)Py2-Fluoro-5-(trifluoromethyl)pyridine>2-Fluoro-5-(trifluoromethyl)pyridine 97%2-Fluoro-5-(trifluoromethyl)pyridine ,98%2-Fluoro-5-trifluoromethylpyridine ISO 9001：2015 REACH

SCHEMBL5142181SCHEMBL22653779SCHEMBL29427147SBB054394AKOS005064009AB41967CS-W016077PS-6614

データベース識別子

CAS: 69045-82-5
PubChem CID: 5463754
DTXSID: DTXSID10420174
EC Number: 400-290-2、675-387-8
Nikkaji: J2.210.702J

物性

構造計算による物性

XLogP: 2.2
極性表面積: 12.9 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 133

実験および物理化学的性質

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

物理化学的性質

沸点: 118 · 118-122℃
比重(密度): 1.368 g/mL · 1.368 g/mL at 25 °C
闪点: 35 ° · 35°(95°F)
屈折率: 1.402 · 1.4020
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: clear liquid
酸解離定数(Pka): -2.86 · -2.86±0.10(Predicted)
色: Colorless to Almost colorless
InChI: InChI=1S/C6H3F4N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H
InChIKey: UUODQIKUTGWMPT-UHFFFAOYSA-N
SMILES: C1(F)=NC=C(C(F)(F)F)C=C1
CAS データベース: 69045 · 69045-82-5(CAS DataBase Reference)

化学的性質

化学的特性Colorless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P272, P273, P280, P302+P352, P303+P361+P353, P321, P333+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Warning

H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P272, P273, P280, P302+P352, P303+P361+P353, P321, P333+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)