[3-クロロ-5-(トリフルオロメチル)-2-ピリジル]メチルアミン塩酸塩

1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine hydrochloride

HCID 11499744

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 175277-74-4
標準SMILES: Cl.NCc1ncc(C(F)(F)F)cc1Cl
InChIKey: DIEGHTBYTFRSDU-UHFFFAOYSA-N
分子式: C7H7Cl2F3N2
平均分子量: 247.04 g/mol
単同位体質量: 245.9938381

概要

[3-Chloro-5-(trifluoromethyl)-2-pyridyl]methylamine hydrochloride is an aminoalkylpyridine.

名称と識別子

優先名称: 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine hydrochloride
IUPAC: [3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride
現地名: [3-クロロ-5-(トリフルオロメチル)-2-ピリジル]メチルアミン塩酸塩
英語名: 2-(Aminomethyl)-3-chloro-5-(trifluoromethyl)-pyridine hydrochloride
分子式: C7H6ClF3N2
分子量: 210.58

名称と別名

326476-49-71-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine hydrochloride1-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)methanamine hydrochlorideRefChem:423579640-341-8(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methanamine hydrochloride2-(Aminomethyl)-3-chloro-5-(trifluoromethyl)pyridine hydrochloride2-aminomethyl-3-chloro-5-(trifluoromethyl)pyridine hydrochlorideMFCD00210134[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine Hydrochloride2-(AMINOMETHYL)-3-CHLORO-5-(TRIFLUOROMETHYL)-PYRIDINE HYDROCHLORIDE[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine;hydrochloride

名称をさらに表示

[3-クロロ-5-(トリフルオロメチル)-2-ピリジル]メチルアミン塩酸塩[3‐クロロ‐5‐(トリフルオロメチル)‐2‐ピリジル]メチルアミン塩酸塩(3-chloro-5-(trifluoromethyl)pyridin-2-yl)methanamineBUTTPARK 145\04-452-(Aminomethyl)-3-chloro-5-(trifluoromethyl)-2-Aminomethyl-3-chloro-5-(trifluoromethyl)pyridine3-Chloro-5-(trifluoromethyl)-2-pyridinemethanamine2-Pyridinemethanamine,3-chloro-5-(trifluoromethyl)-3-chloro-5-(trifluoromethyl)pyridinyl-2-methanamine2-AMinoMethyl-3-chloro-5-(trifluoroMethyl)pyridine HCl1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine2-AMINOMETHYL-3-CHLORO-5-TRIFLUOROMETHYL PYRIDINE HCL SALT

[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYL]METHYLAMINE HYDROCHLORIDE209919-84-61-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine hydrochloride (1:1)(3-CHloro-5-(trifluoromethyl)pyridin-2-yl)methanamine xhydrochlorideSCHEMBL637924SCHEMBL6157878DTXSID50938642CHEBI:194644

データベース識別子

CAS: 175277-74-4、326476-49-7
PubChem CID: 11499744
DTXSID: DTXSID50938642
ChEBI: CHEBI:194644
EC Number: 640-341-8

物性

構造計算による物性

極性表面積: 38.9 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 174

物理化学的性質

融点: 226 °C · 226 °C
沸点: 212 · 212.0±35.0℃ (760 Torr)
比重(密度): 1.421 · 1.421±0.06 g/cm3 (20 ºC 760 Torr)
闪点: 82 · 82.0±25.9℃
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 7.85 · 7.85±0.50(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.