CAS 114834-04-7 4-chloro-2-(1H-imidazol-1-yl)pyrimidine (HCID 10607483)

기본 정보

CAS: 114834-04-7
표준 SMILES: Clc1ccnc(-n2ccnc2)n1
InChIKey: DCQGLKJULMYXAV-UHFFFAOYSA-N
분자식: C7H5ClN4
평균 분자량: 180.59 g/mol
단동위원소 질량: 180.0202739

이름 및 식별자

우선 이름: 4-chloro-2-(1H-imidazol-1-yl)pyrimidine
IUPAC: 4-chloro-2-imidazol-1-ylpyrimidine
현지명: 4-클로로-2-(1H-이미다졸-1-일)피리미딘
영어명: 4-chloro-2-(1H-imidazol-1-yl)pyrimidine
분자식: C7H5ClN4
분자량: 180.59

이름 및 동의어

4-chloro-2-(1H-imidazol-1-yl)pyrimidine114834-04-7DTXSID00442380RefChem:98330DTXCID40393201890-723-54-chloro-2-imidazol-1-ylpyrimidineMFCD098319254-chloro-2-imidazolylpyrimidine2-(IMIDAZOL-1-YL)-4-CHLOROPYRIMIDINESCHEMBL5192586DCQGLKJULMYXAV-UHFFFAOYSA-N

이름 더 보기

4-클로로-2-(1H-이미다졸-1-일)피리미딘Pyrimidine, 4-chloro-2-(1H-imidazol-1-yl)-

PEA83404SBB0897274-chloro-2-(1-imidazolyl)pyrimidineAKOS006326841AB52667AS-8049CS-0335247EN300-7812018

데이터베이스 식별자

CAS: 114834-04-7
PubChem CID: 10607483
DTXSID: DTXSID00442380
EC Number: 890-723-5

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 43.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 154

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.