2-Methoxy-4-(2-nitroethenyl)-1-(phenylmethoxy)benzene

HCID 15828CAS 1860-56-6

基本情報

標準SMILES: COc1cc(C=C[N+](=O)[O-])ccc1OCc1ccccc1
InChIKey: YDGNRJKNDGBMCL-UHFFFAOYSA-N
分子式: C16H15NO4
平均分子量: 285.29 g/mol
単同位体質量: 285.10010796

名称と識別子

優先名称: 2-Methoxy-4-(2-nitroethenyl)-1-(phenylmethoxy)benzene
IUPAC: 2-methoxy-4-(2-nitroethenyl)-1-phenylmethoxybenzene

名称と別名

2-Methoxy-4-(2-nitroethenyl)-1-(phenylmethoxy)benzeneRefChem:2625471860-56-64-Benzyloxy-3-methoxy-beta-nitrostyrene4-benzyloxy-3-methoxynitrostyreneOprea1_8577232-methoxy-4-(2-nitroethenyl)-1-phenylmethoxybenzeneSCHEMBL51858132-methoxy-4-[(Z)-2-nitroethenyl]-1-phenylmethoxy-benzeneYDGNRJKNDGBMCL-UHFFFAOYSA-NDTXSID101214201AKOS030239771

名称をさらに表示

4-(benzyloxy)-3-methoxy--nitrostyreneDB-054575DB-2530851-benzyloxy-2-methoxy-4-(2-nitrovinyl)benzene1-(benzyloxy)-2-methoxy-4-(2-nitroethenyl)benzene

データベース識別子

CAS: 1860-56-6
PubChem CID: 15828
DTXSID: DTXSID101214201
EC Number: 631-591-9

物性

構造計算による物性

XLogP: 3.4
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: 5
重原子数: 21
形式電荷: 0
複雑度: 347

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.