1-(triphenylmethyl)-1H-imidazole-4-carbaldehyde
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Grundinformationen
- CAS
33016-47-6- 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 StruktureigenschaftenWird ergänzt
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 34,9 Ų
- 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
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (83.3%)；Eye Irrit. 2 (91.7%)；STOT SE 3 (75%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 29332900
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-37
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 4
Chemie und Industrie
Anwendungen
Verwenden1-Tritylimidazole-4-carboxaldehyde is used in the synthesis of histamine and girolline
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