1-(triphenylmethyl)-1H-imidazole-4-carbaldehyde

HCID 618233CAS 33016-47-6

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Grundinformationen

Standard-SMILES: O=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIKey: YQYLLBSWWRWWAY-UHFFFAOYSA-N
Summenformel: C23H18N2O
Durchschnittliche Molmasse: 338,4 g/mol
Monoisotopische Masse: 338,1419132

Namen und Bezeichner

Bevorzugter Name: 1-(triphenylmethyl)-1H-imidazole-4-carbaldehyde
IUPAC: 1-tritylimidazole-4-carbaldehyde
Englischer Name: 1-Tritylimidazole-4-carboxaldehyde
Summenformel: C23H18N2O
Molmasse: 338.4

Namen und Synonyme

1-(triphenylmethyl)-1H-imidazole-4-carbaldehydeRefChem:428859620-447-033016-47-61-Tritylimidazole-4-carboxaldehyde1-Trityl-1H-imidazole-4-carbaldehyde1-Trityl-1H-imidazole-4-carboxaldehyde1-tritylimidazole-4-carbaldehydeMFCD02179554N-(Triphenylmethyl)-4-imidazolecarboxaldehyde4-Formyl-1-tritylimidazole1-trityl-imidazole-4-carboxaldehyde

Weitere Namen anzeigen

AKOS 215-50RARECHEM AN KA 00274-formyl-1-trithyl-imidazole1-Trityl-4-formyl-1H-imidazole1-Trityl-imidazol-4-carbaldehyde1-TRITYL-IMDAZOLE-4-CARBOXADEHYDE

1-(triphenylmethyl)imidazole-4-carbaldehyde4-Formyl-1-trityl-1H-imidazole1H-IMIDAZOLE-4-CARBOXALDEHYDE, 1-(TRIPHENYLMETHYL)-1-(triphenylmethyl)-4-imidazolecarboxaldehyde1-Trityl-4-formylimidazoleDexmedetomidine Impurity N1N-trityl-4-(formyl)imidazoleSCHEMBL312750

Datenbank-Bezeichner

CAS: 33016-47-6
PubChem CID: 618233
DTXSID: DTXSID70347131
EC Number: 620-447-0
Nikkaji: J806.978F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,6
Polarare Oberfläche (TPSA): 34,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 5
Schwere Atome: 26
Formalladung: 0
Komplexität: 402

Physikochemische Eigenschaften

Schmelzpunkt: 180 · 180-190°C
Siedepunkt: 502.8 · 502.8±45.0 °C(Predicted)
Dichte: 1.1 · 1.10±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Acetonitrile (Slightly), Methanol (Slightly)
Aggregatzustand: solid
pka: 2.28 · 2.28±0.61(Predicted)
Farbe: White to brown
InChI: InChI=1S/C23H18N2O/c26-17-22-16-25(18-24-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChIKey: YQYLLBSWWRWWAY-UHFFFAOYSA-N
SMILES: C1N(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C(C=O)N=1
CAS Datenbank: 33016 · 33016-47-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 12 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.