2-(クロロメチル)-4,5-ジヒドロ-1H-イミダゾール塩酸塩

2-(chloromethyl)-4,5-dihydro-1H-imidazole hydrochloride

HCID 2760928

基本情報

CAS: 13338-49-3
標準SMILES: Cl.ClCC1=NCCN1
InChIKey: GHCCHMFFNHOXEU-UHFFFAOYSA-N
分子式: C4H8Cl2N2
平均分子量: 155.02 g/mol
単同位体質量: 154.00645362

概要

2-(chloromethyl)-4,5-dihydro-1H-imidazole hydrochloride is a hydrochloride salt having 2-(chloromethyl)-4,5-dihydro-1H-imidazole as the basic component. It contains a 2-(chloromethyl)-4,5-dihydroimidazole.

名称と識別子

優先名称: 2-(chloromethyl)-4,5-dihydro-1H-imidazole hydrochloride
IUPAC: 2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride
現地名: 2-(クロロメチル)-4,5-ジヒドロ-1H-イミダゾール塩酸塩
英語名: 2-(Chloromethyl)-4,5-dihydro-1H-imidazole hydrochloride
分子式: C4H8Cl2N2
分子量: 155.03

名称と別名

2-(chloromethyl)-4,5-dihydro-1H-imidazole Hydrochloridechlormethylimidazoline hydrochlorideCHEBI:53553DTXSID50375417RefChem:84628DTXCID70326446641-883-813338-49-3MFCD041158231H-Imidazole, 2-(chloromethyl)-4,5-dihydro-, hydrochloride (1:1)2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride2-chloromethyl-2-imidazoline hydrochloride

名称をさらに表示

2-(クロロメチル)-4,5-ジヒドロ-1H-イミダゾール塩酸塩AL115Phentolamine Impurity 2Phentolamine EP Impurity BPhentolamine Impurity 2 HClPhentolamine Mesilate Impurity 62-Chloromethyl-4,5-dihydro-1H-imida5-Methanesulfonyl-2,3-dihydro-1H-indolePhentolamine Mesylate EP Impurity B HCl

2-chloromethyl-4,5-dihydro-1h-imidazole hydrochloride2-(chloromethyl)-4,5-dihydro-1h-imidazolehydrochlorideC4H8Cl2N21H-Imidazole, 2-(chloromethyl)-4,5-dihydro-, monohydrochlorideNSC1874792-(CHLOROMETHYL)-4,5-DIHYDRO-1H-IMIDAZOLE HCL2-(chloromethyl)imidazoline hydrochloride2-(Chloromethyl)-4,5-dihydroimidazole Hydrochloride

データベース識別子

CAS: 13338-49-3
PubChem CID: 2760928
DTXSID: DTXSID50375417
ChEBI: CHEBI:53553
EC Number: 641-883-8

物性

構造計算による物性

極性表面積: 24.4 Å²
水素結合供与体数: 2
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 89.7

物理化学的性質

融点: 195 · 195-197
貯蔵温度: 2 · Storage temp. 2-8°C
外見: crystalline solid
色: Orange / tan
InChI: InChI=1S/C4H7ClN2.ClH/c5-3-4-6-1-2-7-4;/h1-3H2,(H,6,7);1H
InChIKey: GHCCHMFFNHOXEU-UHFFFAOYSA-N
SMILES: N1CCNC=1CCl.Cl
CAS データベース: 13338 · 13338-49-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 5 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. 4 (100%)

安全データ

hs_code: 2933299090
hazard_code: Xi
hazard_note: Irritant

化学と産業

応用分野

使用2-(Chloromethyl)-4,5-dihydro-1H-imidazole hydrochloride is used in preparation of disubstituted 1,2,4-triazines and their use for pharmaceutical compound and prevention/treatment of diseases or symptoms involving aldosterone.