HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Iodo-4-methylpyridine
3-Iodo-4-picoline · 3-Iodo-4-methylpyridine · 4-Methyl-3-iodopyridine · Pyridine, 3-iodo-4-methyl- · Pyridine, 3-iodo-4-methyl- (9CI)
Identifikatoren & physikalische Daten
| CAS No. | 38749-96-1 |
|---|---|
| Summenformel | C6H6IN |
| Durchschnittliche Molmasse | 219,02 g/mol |
| Monoisotopische Masse | 218,95449719 g/mol |
| SMILES | Cc1ccncc1I |
| InChIKey | SMXBHXFTAWZFAU-UHFFFAOYSA-N |
| PubChem CID | 14423513 |
| EC No. | 892-523-3 |
| DTXSID | DTXSID70560126 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 74,9 |
| Schmelzpunkt | 160 °C(Solv: ligroine (8032-32-4)) |
| Siedepunkt | 90-95 °C(Press: 5 Torr) |
| Dichte | 1.810±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 3.88±0.18(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
Anwendungen & Verwendung
Verwenden
3-Iodo-4-methylpyridine is used as a reactant in the preparation of 7a-heteroarylhexahydro-1H-pyrrolizines as cholinergic synaptic transmission modulators.