2,6-ジクロロ-4-(トリフルオロメチル)ピリジン塩化物

2,6-Dichloro-4-(trifluoromethyl)pyridine

HCID 520968

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 39890-98-7
標準SMILES: FC(F)(F)c1cc(Cl)nc(Cl)c1
InChIKey: KVNQWVYYVLCZKK-UHFFFAOYSA-N
分子式: C6H2Cl2F3N
平均分子量: 215.98 g/mol
単同位体質量: 214.95163908

名称と識別子

優先名称: 2,6-Dichloro-4-(trifluoromethyl)pyridine
IUPAC: 2,6-dichloro-4-(trifluoromethyl)pyridine
現地名: 2,6-ジクロロ-4-(トリフルオロメチル)ピリジン塩化物
英語名: 2,6-Dichloro-4-(trifluoromethyl)pyridine
分子式: C6H2Cl2F3N
分子量: 215.99

名称と別名

2,6-dichloro-4-(trifluoromethyl)pyridine39890-98-7DTXSID60334510RefChem:248245DTXCID70285600630-971-1MFCD000422462,6-Dichloro-4-trifluoromethylpyridineSCHEMBL561772Pyridine, 2,6-dichloro-4-(trifluoromethyl)-CS-W007641PB47380

名称をさらに表示

2,6-ジクロロ-4-(トリフルオロメチル)ピリジン塩化物2,6-ジクロロ-4-(トリフルオロメチル)ピリジン2,6-ジクロロ-4-トリフルオロメチルピリジン4-TrifluoroMethyl-2,6-dichloroprydine2,6-Dichloro-4-(trifluoromethyl)pyridine>2,6-Dichloro-4-(trifluoromethyl)pyridine 98%2,6-Dichloro-alpha,alpha,alpha-trifluoro-4-picoline2,6-Dichloro-4-(trifluoromethyl)pyridine ISO 9001：2015 REACH

PS-7933AC-245062,6-dichloro-4-(trifluoromethylpyridine)D46842,6-Dichloro-4-(trifluoromethyl)pyridine, 97%4-trifluoromethyl-2,6-dichloropyridine2,6-dichloro-4-(trifluSCHEMBL27786142

データベース識別子

CAS: 39890-98-7
PubChem CID: 520968
DTXSID: DTXSID60334510
EC Number: 630-971-1
Nikkaji: J1.507.614C

物性

構造計算による物性

XLogP: 3.7
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: 4
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 151

物理化学的性質

沸点: 85 °C · 85°C 40mm
比重(密度): 1.505 g/mL · 1.505 g/mL at 25 °C
屈折率: 20 · n20/D 1.473
闪点: 70 · 70-75°C/25mm
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: clear liquid
酸解離定数(Pka): -4.51 · -4.51±0.10(Predicted)
色: Colorless to Light yellow
InChI: InChI=1S/C6H2Cl2F3N/c7-4-1-3(6(9,10)11)2-5(8)12-4/h1-2H
InChIKey: KVNQWVYYVLCZKK-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC(C(F)(F)F)=C1
CAS データベース: 39890 · 39890-98-7(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 · 4 件

Danger

H301 (82.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (82.4%)

安全データ

wgk: 3
ridadr: UN2810
hs_code: 2933399990
risk_code: 36/37/38-25
消防法: 危-4-3-III
hazard_code: T,F,Xi
safety_code: 26-36/37/39-45
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects