4-(Chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole

HCID 2517656CAS 23421-57-0

기본 정보

표준 SMILES: COc1ccc(-c2nc(CCl)cs2)cc1
InChIKey: QUGNZVWIWYZXEC-UHFFFAOYSA-N
분자식: C11H10ClNOS
평균 분자량: 239.72 g/mol

이름 및 식별자

우선 이름: 4-(Chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole
IUPAC: 4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole

이름 및 동의어

4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazoleRefChem:515560996-355-223421-57-0Thiazole, 4-(chloromethyl)-2-(4-methoxyphenyl)-4-CHLOROMETHYL-2-(4-METHOXY-PHENYL)-THIAZOLE4-(Chloromethyl)-2-(4-methoxyphenyl)thiazole hydrochloride4-Chloromethyl-2-(4-methoxyphenyl)thiazole4-(chloromethyl)-2-(4-methoxyphenyl)thiazoleSCHEMBL3370261CHEMBL1618752QUGNZVWIWYZXEC-UHFFFAOYSA-N

이름 더 보기

AKOS000122889AB23766DB-106144EN300-34287G59159

데이터베이스 식별자

CAS: 23421-57-0
PubChem CID: 2517656
ChEMBL: CHEMBL1618752
EC Number: 996-355-2

물성

구조 계산 물성

XLogP: 3
극성 표면적: 50.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 197

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.