1,2-Dimethoxy-4-(2-nitrovinyl)benzene

HCID 709688CAS 22568-47-4

基本情報

標準SMILES: COc1ccc(/C=C/[N+](=O)[O-])cc1OC
InChIKey: SYJMYDMKPSZMSB-AATRIKPKSA-N
分子式: C10H11NO4
平均分子量: 209.2 g/mol
単同位体質量: 209.06880783

名称と識別子

優先名称: 1,2-Dimethoxy-4-(2-nitrovinyl)benzene
IUPAC: 1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene

名称と別名

1,2-dimethoxy-4-(2-nitrovinyl)benzeneRefChem:411722668-229-44230-93-73,4-Dimethoxy-b-nitrostyrene1,2-Dimethoxy-4-[(E)-2-nitroethenyl]benzene22568-47-43,4-Dimethoxy-beta-nitrostyreneMFCD00024823CHEMBL5944043,4-Dimethoxy-.beta.-nitrostyrene3,4-dimethoxynitrostyrene

名称をさらに表示

3,4-Dimethoxy-ss-nitrostyrene(E)-1,2-dimethoxy-4-(2-nitrovinyl)benzene1,2-dimethoxy-4-[(1E)-2-nitroethenyl]benzene1,2-Dimethoxy-4-[(E)-2-nitrovinyl]benzene1-(3,4-dimethoxyphenyl)-2-nitroetheneEthylene, 1-[3,4-(dimethoxy)phenyl]-2-nitro-benzene, 1,2-dimethoxy-4-[(E)-2-nitroethenyl]-1,2-dimethoxy-4-(2-nitro-vinyl)-benzene

データベース識別子

CAS: 22568-47-4、4230-93-7
PubChem CID: 709688
DTXSID: DTXSID801037367
ChEMBL: CHEMBL594404
EC Number: 668-229-4
Nikkaji: J305.338E、J445.191K

物性

構造計算による物性

XLogP: 2.2
極性表面積: 64.3 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 236

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (13.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.