2-(클로로메틸)-4,5-디히드로-1H-이미다졸염산염

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

HCID 2760928CAS 13338-49-3

기본 정보

표준 SMILES: Cl.ClCC1=NCCN1
InChIKey: GHCCHMFFNHOXEU-UHFFFAOYSA-N
분자식: C4H8Cl2N2
평균 분자량: 155.02 g/mol
단동위원소 질량: 154.00645362

개요

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.

이름 및 식별자

우선 이름: 2-(chloromethyl)-4,5-dihydro-1H-imidazole hydrochloride
IUPAC: 2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride
현지명: 2-(클로로메틸)-4,5-디히드로-1H-이미다졸염산염
영어명: 2-(Chloromethyl)-4,5-dihydro-1H-imidazole hydrochloride
분자식: C4H8Cl2N2
분자량: 155.03

이름 및 동의어

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

이름 더 보기

2-(클로로메틸)-4,5-디히드로-1H-이미다졸염산염AL115Phentolamine 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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 24.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 89.7

물리화학적 성질

녹는점: 195 · 195-197
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 결정질 고체
색상: 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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2933299090
hazard_code: Xi
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도2-(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.