1-Methyl-1H-imidazole-4-carbonitrile

HCID 2795115CAS 66121-69-5

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Grundinformationen

Standard-SMILES: Cn1cnc(C#N)c1
InChIKey: LAKVILSENFFPRR-UHFFFAOYSA-N
Summenformel: C5H5N3
Durchschnittliche Molmasse: 107,11 g/mol
Monoisotopische Masse: 107,04834716

Überblick

1-Methyl-1H-imidazole-4-carbonitrile is a member of imidazoles.

Namen und Bezeichner

Bevorzugter Name: 1-Methyl-1H-imidazole-4-carbonitrile
IUPAC: 1-methylimidazole-4-carbonitrile
Englischer Name: 1-Methyl-1H-imidazole-4-carbonitrile
Summenformel: C5H5N3
Molmasse: 107.11

Namen und Synonyme

1-METHYL-1H-IMIDAZOLE-4-CARBONITRILE66121-69-5DTXSID00383547RefChem:231484DTXCID20334571640-342-31-methylimidazole-4-carbonitrileMFCD064115374-Cyano-1-methyl-1H-imidazole4-cyano-1-methylimidazole1H-Imidazole-4-carbonitrile, 1-methyl-orb3029822

Weitere Namen anzeigen

EOS-606011-Methyl-4-cyanoimidazole1H-Imidazole-4-carbonitrile,1-methyl-1-Methyl-1H-imidazole-4-carbonitrile97%1-Methyl-1H-imidazole-4-carbonitrile 97%

SCHEMBL1818314SCHEMBL1918865SCHEMBL2044150SCHEMBL177277921-methyl-4-imidazolecarbonitrileCHEBI:194871LAKVILSENFFPRR-UHFFFAOYSA-NFr16716

Datenbank-Bezeichner

CAS: 66121-69-5
PubChem CID: 2795115
DTXSID: DTXSID00383547
ChEBI: CHEBI:194871
EC Number: 640-342-3
Nikkaji: J2.270.044H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 41,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 123

Physikochemische Eigenschaften

Schmelzpunkt: 76 °C · 76 °C
Siedepunkt: 314.1 · 314.1±15.0 °C(Predicted)
Dichte: 1.12 · 1.12±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: solid
pka: 1.52 · 1.52±0.61(Predicted)
Farbe: Light brown

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.