1-Ethyl-1H-imidazol

1-Ethyl-1H-imidazole

HCID 81540CAS 7098-07-9

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCn1ccnc1
InChIKey: IWDFHWZHHOSSGR-UHFFFAOYSA-N
Summenformel: C5H8N2
Durchschnittliche Molmasse: 96,13 g/mol
Monoisotopische Masse: 96,06874826

Namen und Bezeichner

Bevorzugter Name: 1-Ethyl-1H-imidazole
IUPAC: 1-ethylimidazole
Lokaler Name: 1-Ethyl-1H-imidazol
Englischer Name: 1-Ethylimidazole
Summenformel: C5H8N2
Molmasse: 96.13

Namen und Synonyme

1-Ethylimidazole1-Ethyl-1H-imidazole7098-07-9N-Ethylimidazole1H-Imidazole, 1-ethyl-T49PA5I372DTXSID10221209EC 230-403-9EINECS 230-403-9RefChem:432328DTXCID60143700230-403-9

Weitere Namen anzeigen

EIMOxalethylin1-Ethylimidazole>Imidazole, 1-ethyl-Clotrimazole Impurity 13

Imidazole, 1-ethyl-MFCD000553891-Ethylimidazole, >98%1-Ethyl-1H-imidazole #PS-9345PD163435D708601-ethyl imidazole

Datenbank-Bezeichner

CAS: 7098-07-9
PubChem CID: 81540
DTXSID: DTXSID10221209
ChEMBL: CHEMBL13911
UNII: T49PA5I372
EC Number: 230-403-9
Nikkaji: J109.518H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 17,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 54

Physikochemische Eigenschaften

Schmelzpunkt: -27 ° · -27°
Siedepunkt: 106 °C · 106°C (12 torr)
Dichte: 0.997 · 0.997
Dampfdruck: 40 Pa · 40Pa at 20℃
Brechungsindex: 1.487 · 1.4870-1.4900
Flammpunkt: 91.5 °C · 91.5 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Wasserlöslichkeit: Soluble in water
Aggregatzustand: clear liquid
pka: 7.08 · 7.08±0.10(Predicted)
Farbe: Colorless to Light yellow to Light orange
InChI: InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3
InChIKey: IWDFHWZHHOSSGR-UHFFFAOYSA-N
SMILES: C1N(CC)C=CN=1
CAS Datenbank: 7098 · 7098-07-9(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Ethylimidazole(7098-07-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 30-11-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16442

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)

Sicherheitsdaten

wgk: WGK 2
ridadr: UN3267 8/PG 3
hs_code: 2933299090
risk_code: 36/37/38-52/53-34-22
hazard_code: C
safety_code: 26-36/37/39-61-45
hazard_class: 8
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Ethylimidazole is an organic heterocyclic compound belonging to the imidazole family. It is widely used as a versatile building block in organic synthesis and serves as a precursor for the synthesis of many pharmaceuticals, agrochemicals, and specialty chemicals. Moreover, 1-Ethylimidazole has been investigated for its biological activities and potential medicinal applications. It exhibits antimicrobial properties, showing inhibitory effects against bacteria and fungi.