4,5-Diphenyl-1H-imidazol

4,5-Diphenylimidazole

HCID 69588CAS 668-94-0

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Grundinformationen

Standard-SMILES: c1ccc(-c2nc[nH]c2-c2ccccc2)cc1
InChIKey: CPHGOBGXZQKCKI-UHFFFAOYSA-N
Summenformel: C15H12N2
Durchschnittliche Molmasse: 220,27 g/mol
Monoisotopische Masse: 220,10004838

Namen und Bezeichner

Bevorzugter Name: 4,5-Diphenylimidazole
IUPAC: 4,5-diphenyl-1H-imidazole
Lokaler Name: 4,5-Diphenyl-1H-imidazol
Englischer Name: 4,5-Diphenylimidazole
Summenformel: C15H12N2
Molmasse: 220.27

Namen und Synonyme

4,5-Diphenylimidazole668-94-04,5-Diphenyl-1H-imidazoleDiphenylimidazole1H-Imidazole, 4,5-diphenyl-Imidazole, 4,5-diphenyl-DTXSID50457004,5-diphenyl imidazoleDiphenylimidazole (JAN)EINECS 211-573-3NSC 59776NSC-59776

Weitere Namen anzeigen

4,5-DIPHENYLGLYOXALINEAURORA 23221TIMTEC-BB SBB0033524,5-diphenylimidazolOTAVA-BB BB7110952522

DIPHENYLIMIDAZOLE [JAN]398688L26ZDTXCID30257004,5-DIPHENYLIMIDAZOLE [WHO-DD]RefChem:507873Imidazole, 4,5-diphenyl-(8CI)1H-Imidazole, 4,5-diphenyl-(9CI)MFCD00005198

Datenbank-Bezeichner

CAS: 668-94-0
PubChem CID: 69588
DTXSID: DTXSID5045700
ChEMBL: CHEMBL224554
UNII: 398688L26Z
EC Number: 211-573-3
Nikkaji: J41.177I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 28,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 17
Formalladung: 0
Komplexität: 229

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesCrystal structure

Physikochemische Eigenschaften

Schmelzpunkt: 228 · 228-230 °C(lit.)
Siedepunkt: 351.21 °C · 351.21°C (rough estimate)
Dichte: 1.149 · 1.149
Brechungsindex: 1.5 · 1.5000 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Soluble in methanol.
pka: 12.99 · 12.99±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Almost white
BRN: 157587 · 157587
InChI: 1S/C15H12N2/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)
InChIKey: CPHGOBGXZQKCKI-UHFFFAOYSA-N
SMILES: c1ccc(cc1)-c2nc[nH]c2-c3ccccc3
CAS Datenbank: 668 · 668-94-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29332990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4,5-Diphenylimidazole is used as a precursor for azo dyes such as 2-(quinolylazo)-4,5-diphenylimidazole . It is also used to determine metal ions by spectrophotometrically. It acts as a chromogenic reagent.