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4-Iodo-1-tritylimidazole
4-IODO-1-TRITYL-1H-IMIDAZOLE · 2-Bromo-5,6-dichloro-1H-benzoimidazole · AKOS 6 · 2-Bromo-5,6-dichloro · 1-TRITY-4-IODOIMIDAZOLE · 4-Iodo-1-triylimidazole · 1-TRITYL-4-IODOIMIDAZOLE · 4-IODO-1-TRITYLIMIDAZOLE
Identifikatoren & physikalische Daten
| CAS No. | 96797-15-8 |
|---|---|
| Summenformel | C22H17IN2 |
| Durchschnittliche Molmasse | 436,3 g/mol |
| Monoisotopische Masse | 436,04364654 g/mol |
| SMILES | Ic1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 |
| InChIKey | DXJZJYPLPZEYBH-UHFFFAOYSA-N |
| PubChem CID | 618252 |
| EC No. | 673-686-8 |
| DTXSID | DTXSID50347139 |
Chemische & physikalische Eigenschaften
| XLogP | 5,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 363 |
| Schmelzpunkt | 224 °C |
| Siedepunkt | 509.7±45.0 °C(Predicted) |
| Dichte | 1.40±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Very Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.80±0.61(Predicted) |
| Farbe | White |
| InChI | InChI=1S/C22H17IN2/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H |
| InChIKey | DXJZJYPLPZEYBH-UHFFFAOYSA-N |
| SMILES | C1N(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C(I)N=1 |
| CAS Datenbank | 96797-15-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.WarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (25%) |
| Zollcode | 29332900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
4-Iodo-1-tritylimidazole (cas# 96797-15-8) is a compound useful in organic synthesis.