CAS 7520-91-4 2-Bromo-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethan-1-one (HCID 12668422)

기본 정보

CAS: 7520-91-4
표준 SMILES: Cc1nc(C)c(C(=O)CBr)s1
InChIKey: PLUIFJAYRBVUDM-UHFFFAOYSA-N
분자식: C7H8BrNOS
평균 분자량: 234.12 g/mol

이름 및 식별자

우선 이름: 2-Bromo-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethan-1-one
IUPAC: 2-bromo-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone

이름 및 동의어

7520-91-4RefChem:4658602-Bromo-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethan-1-one877-246-82-bromo-1-(2,4-dimethyl-5-thiazolyl)EthanoneEthanone, 2-bromo-1-(2,4-dimethyl-5-thiazolyl)-2-Bromo-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone2-bromo-1-(dimethyl-1,3-thiazol-5-yl)ethan-1-oneSCHEMBL6121242PLUIFJAYRBVUDM-UHFFFAOYSA-N2,4-dimethyl-5-bromoacetyl-thiazoleDA-26983

이름 더 보기

EN300-10742612-bromo-1-(2,4-dimethyl-thiazol-5-yl)-ethanone1-(2,4-dimethyl(1,3-thiazol-5-yl))-2-bromoethan-1-one

데이터베이스 식별자

CAS: 7520-91-4
PubChem CID: 12668422
EC Number: 877-246-8
Nikkaji: J3.530.179H

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 58.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 165

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.