2,4,5-Triphenylimidazol

2,4,5-Triphenylimidazole

HCID 10232CAS 484-47-9

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Grundinformationen

Standard-SMILES: c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIKey: RNIPJYFZGXJSDD-UHFFFAOYSA-N
Summenformel: C21H16N2
Durchschnittliche Molmasse: 296,4 g/mol
Monoisotopische Masse: 296,13134852

Namen und Bezeichner

Bevorzugter Name: 2,4,5-Triphenylimidazole
IUPAC: 2,4,5-triphenyl-1H-imidazole
Lokaler Name: 2,4,5-Triphenylimidazol
Englischer Name: 2,4,5-Triphenylimidazole
Summenformel: C21H16N2
Molmasse: 296.37

Namen und Synonyme

2,4,5-Triphenylimidazole484-47-9LophineIMIDAZOLE, 2,4,5-TRIPHENYL-Q6K46G80ZDNSC-62790DTXSID3022039RefChem:154070DTXCID702039207-606-62,4,5-Triphenyl-1H-imidazoleLophin

Weitere Namen anzeigen

Oxaprozin Lophine2,4,5-triphenyl-imidazol2,4,5-triphenyl-1h-imidazol2,4,5-Triphenylimidazole,98%2,4,5-Trisphenyl-1H-imidazole1H-Imidazole,2,4,5-triphenyl-

1H-Imidazole, 2,4,5-triphenyl-2,4,5-Triphenyl-1,3-imidazoleC21H16N2MFCD00005187CHEMBL341732,5-TriphenylimidazoleImidazole,4,5-triphenyl-1H-Imidazole,4,5-triphenyl-

Datenbank-Bezeichner

CAS: 484-47-9
PubChem CID: 10232
DTXSID: DTXSID3022039
ChEMBL: CHEMBL34173
UNII: Q6K46G80ZD
EC Number: 207-606-6
Nikkaji: J1.549K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5
Polarare Oberfläche (TPSA): 28,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 23
Formalladung: 0
Komplexität: 351

Physikochemische Eigenschaften

Schmelzpunkt: 274 · 274-278 °C (lit.)
Siedepunkt: 427.96 °C · 427.96°C (rough estimate)
Dichte: 1.0874 · 1.0874 (rough estimate)
Brechungsindex: 1.8 · 1.8000 (estimate)
storage temp.: Sealed in dry,Room Temperature
pka: 11.66 · 11.66±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
Wasserlöslichkeit: Soluble in methanol. Insoluble in water.
BRN: 236652 · 236652
InChI: InChI=1S/C21H16N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15H,(H,22,23)
InChIKey: RNIPJYFZGXJSDD-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)NC(C2=CC=CC=C2)=C(C2=CC=CC=C2)N=1
CAS Datenbank: 484 · 484-47-9(CAS DataBase Reference)
EPA chemische Informationen: 1 H-Imidazole, · 1H-Imidazole, 2,4,5-triphenyl- (484-47-9)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29349990
RTECS-Nr.: NI8710000
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden2,4,5-Triphenylimidazole is used in the synthesis of fluorescent diarylethenes and nanowires of 2,4,5-triphenylimidazole, which finds application as single wire active optical waveguides and optically driven ultraviolet lasers.

Darstellung · 1 Eintrag

synthetische2,4,5-triphenylimidazole was synthesized by reaction between ammonia, benzaldehyde and benzoin: Benzoin (1) ( 5 g, 0.023 M) was reacted with benzaldehyde (5 mL, 0.05 mol) (2) in presence of ammonia (3) and refluxed for 4 h and the resulting mixture was cooled, filtered to get 2,4,5-triphenylimidazole (4).Synthesis of 2,4,5-Triphenylimidazoles Novel Mannich Bases as Potential Antiinflammatory and Analgesic AgentsDOI: 10.3923/crc.2012.99.109