Ethyl 2-cyano-2-(hydroxyimino)acetate

HCID 6399078CAS 3849-21-6

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Grundinformationen

Standard-SMILES: CCOC(=O)C(C#N)=NO
InChIKey: LCFXLZAXGXOXAP-UHFFFAOYSA-N
Summenformel: C5H6N2O3
Durchschnittliche Molmasse: 142,11 g/mol
Monoisotopische Masse: 142,03784205

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: Ethyl 2-cyano-2-(hydroxyimino)acetate
IUPAC: ethyl 2-cyano-2-hydroxyiminoacetate

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 82,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 10
Formalladung: 0
Komplexität: 200

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.