Grundinformationen
- Standard-SMILES
[C-]#[N+]CC- InChIKey
BPCWCZCOOFUXGQ-UHFFFAOYSA-N- Summenformel
- C3H5N
- Durchschnittliche Molmasse
- 55,08 g/mol
- Monoisotopische Masse
- 55,04219916
Namen und Bezeichner
- Bevorzugter Name
- Ethane, isocyano-
- IUPAC
- isocyanoethane
- Lokaler Name
- Isocyanethan
- Englischer Name
- Ethyl isocyanide
- Summenformel
- C3H5N
- Molmasse
- 55.08
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
624-79-3- PubChem CID
- 12226
- DTXSID
DTXSID90977959- EC Number
- 210-863-7
- Nikkaji
- J6.855A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 4,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 4
- Formalladung
- 0
- Komplexität
- 38,5
Physikochemische Eigenschaften
- Siedepunkt
- 96.85 °C · 96.85°C (estimate)
- Dichte
- 0.7378 · 0.7378
- Brechungsindex
- 1.3607 · 1.3607
- Wasserlöslichkeit
- 999 mg/L · 999mg/L(temperature not stated)
- EPA chemische Informationen
- Ethane, isocyano- (624-79-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- ridadr
- UN2929
- hazard_class
- 6.1, 3
Chemie und Industrie
Anwendungen
VerwendenPrincipal use in toxicology was in the characterization of cytochrome P450 isozymes. Ethyl isocyanide and the reduced cytochrome form a characteristic optical difference spectrum with two peaks in the Soret Region (type III). The pH equilibrium point (the pH at which the two peaks are of equal height) varies between different isozymes.
Darstellung
synthetischeCAUTION: The reaction and distillation should be conducted behind a safety shield. Precautions for handling toxic cyanides should be observed.To a three-necked flask equipped with a condenser and ground glass stirrer (or Hershberg stirrer) is added 116 gm (0.75 mole) of ethyl iodide and 100 gm (0.75 mole) of silver cyanide. The mixture is refluxed for 2 hr, the stirrer blade raised, the mixture cooled, filtered (see Note a), the solid washed with ether, dried, and 260 gm of a 50% solution of potassium cyanide (2.0 moles) added. The reaction mixture is distilled to afford a mixture of isonitrile and water (see Note b). The crude isonitrile 49.5- 52.3 gm (90-95%) is separated after being salted out of the water. The isonitrile is washed twice with 24-ml portions of ice-cold saturated sodium chloride solution, dried over magnesium sulfate, and fractionally distilled, to afford 25.9-30.3 gm (47-55%), b.p. 77-79°C (760 mm Hg).
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