1-Propyl-1H-imidazol

n-Propylimidazole

HCID 118785CAS 35203-44-2

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Grundinformationen

Standard-SMILES: CCCn1ccnc1
InChIKey: IYVYLVCVXXCYRI-UHFFFAOYSA-N
Summenformel: C6H10N2
Durchschnittliche Molmasse: 110,16 g/mol
Monoisotopische Masse: 110,08439832

Namen und Bezeichner

Bevorzugter Name: n-Propylimidazole
IUPAC: 1-propylimidazole
Lokaler Name: 1-Propyl-1H-imidazol
Englischer Name: 1-Propyl-1H-imidazole
Summenformel: C6H10N2
Molmasse: 110.16

Namen und Synonyme

1-Propyl-1H-imidazole35203-44-21-propylimidazoleN-Propylimidazole1H-Imidazole, 1-propyl-EINECS 252-431-0PR14NYU5X2DTXSID70188708RefChem:831065DTXCID90111199252-431-01H-Imidazole, propyl-

Weitere Namen anzeigen

SKL1440SKL1560N-Propylimidazol1-Propyl-1H-imidazol1-Propylimidazole>1-propyl-1H-imidazoleClotrimazole Impurity 18

MFCD000604941-Subsituted 1H-imidazole, 1AKOS002677337CS-W016625SY029323P1991EN300-53765QuadraPure(R) BDZ, 400-750 mum, extent of labeling: 1.0-1.4 mmol/g loading, macroporous

Datenbank-Bezeichner

CAS: 35203-44-2
PubChem CID: 118785
DTXSID: DTXSID70188708
ChEMBL: CHEMBL95929
UNII: PR14NYU5X2
EC Number: 252-431-0
Nikkaji: J289.931K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 17,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 63,5

Physikochemische Eigenschaften

Siedepunkt: 94 °C/11mmHg · 94°C/11mmHg(lit.)
Dichte: 0.95 · 0.95±0.1 g/cm3(Predicted)
Brechungsindex: 1.481 · 1.4810-1.4850
Flammpunkt: 88 ° · 88°
storage temp.: 2 · 2-8°C
Aggregatzustand: clear liquid
pka: 7.09 · 7.09±0.10(Predicted)
Farbe: Colorless to Yellow
InChI: InChI=1S/C6H10N2/c1-2-4-8-5-3-7-6-8/h3,5-6H,2,4H2,1H3
InChIKey: IYVYLVCVXXCYRI-UHFFFAOYSA-N
SMILES: C1N(CCC)C=CN=1
CAS Datenbank: 35203 · 35203-44-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Sicherheitsdaten

hs_code: 2933299090
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-propyl-1H-imidazole (PrIm) could be selected as a ligand for a study on homoleptic Fe(II)-Imidazole complexes, allowing for a comparison between the two systems. Its extreme versatility as a ligand was unveiled as it gave rise to a new family of Fe(II) complexes with mono-, bi- and tetranuclear members[1].