Ethyl 2-cyano-2-(hydroxyimino)acetate

HCID 6399078

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 3849-21-6
標準SMILES: CCOC(=O)C(C#N)=NO
InChIKey: LCFXLZAXGXOXAP-UHFFFAOYSA-N
分子式: C5H6N2O3
平均分子量: 142.11 g/mol
単同位体質量: 142.03784205

概要

structure in first source

名称と識別子

優先名称: Ethyl 2-cyano-2-(hydroxyimino)acetate
IUPAC: ethyl 2-cyano-2-hydroxyiminoacetate

名称と別名

3849-21-6Ethyl 2-cyano-2-(hydroxyimino)acetateDTXSID40959361RefChem:594310DTXCID001387241Ethyl cyanoglyoxylate-2-oximeethyl 2-cyano-2-hydroxyiminoacetateethyl (2E)-cyano(hydroxyimino)acetateOxyma Pure®ethyl 2-cyano-2-hydroxyimino-acetateETHYL(HYDROXYIMINO)CYANOACETATEOXYMA PURE

名称をさらに表示

ethyl hydroxyiminocyanoacetateethyl alpha-oximinocyanoacetateSCHEMBL498412ethyl 2-hydroxyiminocyanoacetateSCHEMBL1666567ethyl 2-cyanoglyoxylate-2-oximeethyl 2-hydroxyimino-cyanoacetateOXY-1050-PI

データベース識別子

CAS: 3849-21-6
PubChem CID: 6399078
DTXSID: DTXSID40959361
EC Number: 223-351-3

物性

構造計算による物性補完中

XLogP: 1.3
極性表面積: 82.7 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 3
重原子数: 10
形式電荷: 0
複雑度: 200

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 7.1% (2 of 28) of reports.

Warning

H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 28 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.