2-(Bromomethyl)-1,4-dimethoxybenzene

HCID 592021

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 60732-17-4
標準SMILES: COc1ccc(OC)c(CBr)c1
InChIKey: CZDKYDOSKNCXSM-UHFFFAOYSA-N
分子式: C9H11BrO2
平均分子量: 231.09 g/mol
単同位体質量: 229.99424169

名称と識別子

優先名称: 2-(Bromomethyl)-1,4-dimethoxybenzene
IUPAC: 2-(bromomethyl)-1,4-dimethoxybenzene
英語名: 2,5-Dimethoxybenzylbromide
分子式: C9H11BrO2
分子量: 231.09

名称と別名

2-(bromomethyl)-1,4-dimethoxybenzene60732-17-4DTXSID90343756RefChem:253306DTXCID70294833835-211-42,5-Dimethoxybenzylbromide2,5-dimethoxybenzyl bromideMFCD073299152-(bromomethyl)-1,4-dimethoxy-benzene2,5-dimethoxy-benzylbromideSCHEMBL1264360

名称をさらに表示

Benzene, 2-(bromomethyl)-1,4-dimethoxy-

2-Bromomethyl-1,4-dimethoxybenzene2-bromomethyl-1,4-dimethoxy-benzeneAKOS009017379BS-13577SY153095EN300-14150F72288F870213

データベース識別子

CAS: 60732-17-4
PubChem CID: 592021
DTXSID: DTXSID90343756
EC Number: 835-211-4
Nikkaji: J1.095.258A

物性

構造計算による物性

XLogP: 2.4
極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 130

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, 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.