Isocyanethan

Ethane, isocyano-

HCID 12226CAS 624-79-3

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

Isocyanoethane624-79-3Ethane, isocyano-DTXSID90977959RefChem:1084352DTXCID001405289210-863-7Ethylisokyanid [Czech]Ethylkarbylamin [Czech]EINECS 210-863-7SCHEMBL1103820SCHEMBL3352025
Weitere Namen anzeigen
ethyl carbylamineHANSA ISN-0734lsocyanoethaneEthyl isocyanideethyl isonitrileethyl isocyanide DISCONTINUED
SCHEMBL5633574MFCD01740118MFCD26620314AKOS005144117GS-0305NS00043371InChI=1/C3H5N/c1-3-4-2/h3H2,1HEN300-1854730

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

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 · 4 Einträge

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

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Sicherheitsdaten

ridadr
UN2929
hazard_class
6.1, 3

Chemie und Industrie

Anwendungen · 1 Eintrag

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 · 1 Eintrag

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).

Anbieter6 Anbieter

上海相辉医药科技有限公司13761987713 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

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