Ethylazidoacetat

Acetic acid, azido-, ethyl ester

HCID 69480CAS 637-81-0

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Grundinformationen

Standard-SMILES: CCOC(=O)CN=[N+]=[N-]
InChIKey: HVJJYOAPXBPQQV-UHFFFAOYSA-N
Summenformel: C4H7N3O2
Durchschnittliche Molmasse: 129,12 g/mol
Monoisotopische Masse: 129,05382646

Namen und Bezeichner

Bevorzugter Name: Acetic acid, azido-, ethyl ester
IUPAC: ethyl 2-azidoacetate
Lokaler Name: Ethylazidoacetat
Englischer Name: Ethyl Azidoacetate
Summenformel: C4H7N3O2
Molmasse: 129.12

Namen und Synonyme

Ethyl azidoacetate637-81-0Azidoacetic acid ethyl esterAcetic acid, azido-, ethyl esterCCRIS 3368EINECS 211-301-3BRN 4247209DTXSID30213101NSC 84132RefChem:316550DTXCID90135592211-301-3

Weitere Namen anzeigen

azidoacetateazido-aceticaciethylesterDDYSYZETHYL AZIDOACETETHYLAZIDACETATEEthyl azidacetate 97%Cefazolin Impurity 37ethyl 2-azidoethanoate

Ethyl 2-azidoacetateAzido-acetic acid ethyl esterMFCD00190177Acetic acid, 2-azido-, ethyl esterEthylazidoacetateethyl azido-acetateethyl-2-azidoacetateethyl alpha-azidoacetate

Datenbank-Bezeichner

CAS: 637-81-0
PubChem CID: 69480
DTXSID: DTXSID30213101
EC Number: 211-301-3
Nikkaji: J205.911H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 40,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 9
Formalladung: 0
Komplexität: 139

Physikochemische Eigenschaften

Siedepunkt: 44 · 44-46°C 2mm
Dichte: 1.12 g/ml · 1.12g/ml
Brechungsindex: 1.433 to · 1.4330 to 1.4370
Flammpunkt: 25 °C · 25 °C
storage temp.: Refrigerator, under inert atmosphere
Löslichkeit: Chloroform (Sparingly), Ethyl Acetate (Slightly)
Aggregatzustand: Oil
Farbe: Colourless to Pale Yellow
BRN: 4247209 · 4247209
InChI: InChI=1S/C4H7N3O2/c1-2-9-4(8)3-6-7-5/h2-3H2,1H3
InChIKey: HVJJYOAPXBPQQV-UHFFFAOYSA-N
SMILES: C(=O)(OCC)CN=[N+]=[N-]
CAS Datenbank: 637 · 637-81-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (90.5%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 21 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (90.5%)

Sicherheitsdaten

wgk: 2
ridadr: UN 1593 6.1/PG 3
hs_code: 2929.90.5090
risk_code: 1-40-36/37/38-10-67-65-63-48/20-38-11
hazard_code: Xn,Xi,C,F
hazard_note: Irritant/Corrosive
safety_code: 7-16-26-35-36-47-62-45-36/37
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenEthyl Azidoacetate is an important organic substance that can undergo cyclisation reactions and is commonly used in the field of chemical synthesis.The condensation of 1-methyl-β-carboline-3-carbaldehyde with ethyl azidoacetate can be used to prepare 2-formylxanthine derivatives[1].