Ethyl diazoacetoacetate

HCID 538206

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Grundinformationen

CAS: 2009-97-4
Standard-SMILES: CCOC(=O)C(=[N+]=[N-])C(C)=O
InChIKey: JWTPSIXYXYNAOU-UHFFFAOYSA-N
Summenformel: C6H8N2O3
Durchschnittliche Molmasse: 156,14 g/mol
Monoisotopische Masse: 156,05349212

Namen und Bezeichner

Bevorzugter Name: Ethyl diazoacetoacetate
IUPAC: ethyl 2-diazo-3-oxobutanoate
Englischer Name: Ethyl diazoacetoacetate
Summenformel: C6H8N2O3
Molmasse: 156.14

Namen und Synonyme

2009-97-4RefChem:596173626-053-5ETHYL DIAZOACETOACETATEethyl 2-diazo-3-oxobutanoateButanoic acid, 2-diazo-3-oxo-, ethyl esterEthyl 2-diazoacetoacetateMFCD090392642-diazo-3-oxo-butyric acid ethyl esterAcetoacetic acid, 2-diazo-, ethyl esterSCHEMBL962321ethyl 2-diazo-3-oxo-butanoate

Weitere Namen anzeigen

2-Diazo-3-oxobutyric acid ethylazaylethylacetic acidethyl ester2-Diazoacetoacetic acid ethyl ester2-Diazo-3-oxobutyric acid ethyl ester3-Oxo-2-diazobutanoic acid ethyl ester2-Diazo-3-oxobutanoic acid ethyl esterEthyl 2-diazo-3-oxobutanoate - [DA7326]

SCHEMBL27894097AKOS015894398AS-75565SY067070CS-0226508EN300-56469E82520F647959

Datenbank-Bezeichner

CAS: 2009-97-4
PubChem CID: 538206
EC Number: 626-053-5
Nikkaji: J80.360J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 45,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 11
Formalladung: 0
Komplexität: 228

Physikochemische Eigenschaften

Siedepunkt: 102 · 102-103 °C(Press: 12 Torr)
Dichte: 1.131 g/mL · 1.131 g/mL at 25 °C (lit.)
Dampfdruck: 0.36 psi · 0.36 psi ( 20 °C)
Brechungsindex: 20 · n20/D 1.474(lit.)
Flammpunkt: 185 °F · 185 °F
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: liquid
InChI: 1S/C6H8N2O3/c1-3-11-6(10)5(8-7)4(2)9/h3H2,1-2H3
InChIKey: JWTPSIXYXYNAOU-UHFFFAOYSA-N
SMILES: CCOC(=O)C(=[N+]=[N-])C(C)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29270000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 5.2 - Organic peroxides and self-reacting hazardous materials
Hazard Classifications: Eye Irrit. 2Self-react. CSkin Irrit. 2STOT SE 3