Grundinformationen
- CAS
1000-84-6- Standard-SMILES
CCOC(C)=N- InChIKey
JMIAPORGEDIDLT-UHFFFAOYSA-N- Summenformel
- C4H9NO
- Durchschnittliche Molmasse
- 87,12 g/mol
- Monoisotopische Masse
- 87,06841391
Überblick
RN given refers to parent cpd
Namen und Bezeichner
- Bevorzugter Name
- Ethyl acetimidate
- IUPAC
- ethyl ethanimidate
- Lokaler Name
- Ethylacetimidat
- Englischer Name
- ethyl acetimidate
- Summenformel
- C4H9NO
- Molmasse
- 87.12
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1000-84-6- PubChem CID
- 65066
- DTXSID
DTXSID4061381- UNII
- 5CAT8M2NGJ
- EC Number
- 213-676-9
- Nikkaji
- J217.102C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 33,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 51,5
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 92 · 92-95 °C
- Dichte
- 0.872 g/cm3 · 0.872 g/cm3(Temp: 23 °C)
- pka
- 8.35 · 8.35±0.70(Predicted)
- EPA chemische Informationen
- Ethanimidic acid, ethyl ester (1000-84-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Verwendung und Herstellung
Darstellung
synthetischeTo a flask cooled to -5°C containing 61.5 gm (1.5 mole) of dry aceto-nitrile and 69.0 gm (1.5 mole) of anhydrous ethanol is added 532 gm (1.5 mole) of gaseous hydrogen chloride. The flask is stoppered and kept for 6 hr at 0°C and 4-5 days in the refrigerator. The resulting precipitate is filtered and washed with dry ether at 0°C. The salt is suspended in 500 ml of anhydrous ether and while stirring vigorously dry ammonia is passed into the suspension for 1.5 hr at -15°C. The resulting ammonium chloride is filtered and the ether solution is fractionally distilled to affect 60.0 gm (45.9%), b.p. 90°C, n24D 1.415, d23 0.872.
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