2,4-Dimethoxybenzaldoxime

HCID 231242CAS 31874-34-7

基本情報

標準SMILES: COc1ccc(C=NO)c(OC)c1
InChIKey: SFDRVCQSVTYHLU-UHFFFAOYSA-N
分子式: C9H11NO3
平均分子量: 181.19 g/mol
単同位体質量: 181.07389321

名称と識別子

優先名称: 2,4-Dimethoxybenzaldoxime
IUPAC: N-[(2,4-dimethoxyphenyl)methylidene]hydroxylamine

名称と別名

2,4-DIMETHOXYBENZALDOXIME31874-34-7DTXSID20282649RefChem:246523DTXCID50233801SFDRVCQSVTYHLU-UXBLZVDNSA-NN-[(2,4-dimethoxyphenyl)methylidene]hydroxylamineMFCD000827832,4-dimethoxy benzaldoximeSCHEMBL2009041SCHEMBL304811092,4-Dimethoxy benzaldehyde oxime

名称をさらに表示

SFDRVCQSVTYHLU-UHFFFAOYSA-NAVA02337AKOS030228041FD67084D4851F875849(NE)-N-[(2,4-dimethoxyphenyl)methylidene]hydroxylamine

データベース識別子

CAS: 31874-34-7
PubChem CID: 231242
DTXSID: DTXSID20282649
EC Number: 681-814-9

物性

構造計算による物性

XLogP: 1.6
極性表面積: 51.1 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 172

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 33 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.