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Imidazo(1,2-a)pyrimidine
1,3a,7-Triazaindene · 1,8-Diazaindolizine · IMIDAZO[1,2-A]PYRIMIDINE · Imidazo[1,2-a]pyrimidine>Imidazolo [1,2-a] pyrimidine · Imidazo[1,2-a]pyrimidine (7CI, 8CI, 9CI, ACI)
Identifikatoren & physikalische Daten
| CAS No. | 274-95-3 |
|---|---|
| Summenformel | C6H5N3 |
| Durchschnittliche Molmasse | 119,12 g/mol |
| Monoisotopische Masse | 119,04834716 g/mol |
| SMILES | c1cnc2nccn2c1 |
| InChIKey | INSWZAQOISIYDT-UHFFFAOYSA-N |
| PubChem CID | 577018 |
| ChEMBL | CHEMBL206082 |
| EC No. | 691-505-0 |
| DTXSID | DTXSID80341928 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 30,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 104 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Schmelzpunkt | 127-129° |
| Dichte | 1.29±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 5.50±0.30(Predicted) |
| Farbe | Light yellow to Brown |
| InChI | InChI=1S/C6H5N3/c1-2-7-6-8-3-5-9(6)4-1/h1-5H |
| InChIKey | INSWZAQOISIYDT-UHFFFAOYSA-N |
| SMILES | C12=NC=CN1C=CC=N2 |
| CAS Datenbank | 274-95-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| Zollcode | 2933599590 |
| R-Sätze (R) | 43 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 36/37 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Imidazo[1,2-a]pyrimidine is a heterocyclic aromatic compound used as a pharmaceutical intermediate ingredient, organic solvent and chemical reaction reagent. In the field of agrochemicals, it interacts with key enzymes such as acetylcholinesterase, lipoxygenase and glutathione-S-transferase. In the dye industry, it has been found to interact with a variety of proteins, including cytochrome P450 and peroxidase, making it an important component in dye formulations.