HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Iodo-1H-indazole
1H-Indazole, 5-iodo- · 5-IODOINDAZOLE · 5-IODO (1H)INDAZOLE · 5-IODO (1H)INDAZOLE Cas: 55919-82-9
Identifikatoren & physikalische Daten
| CAS No. | 55919-82-9 |
|---|---|
| Summenformel | C7H5IN2 |
| Durchschnittliche Molmasse | 244,03 g/mol |
| Monoisotopische Masse | 243,94974616 g/mol |
| SMILES | Ic1ccc2[nH]ncc2c1 |
| InChIKey | CGCHCLICSHIAAM-UHFFFAOYSA-N |
| PubChem CID | 21894739 |
| ChEMBL | CHEMBL391348 |
| EC No. | 640-869-9 |
| DTXSID | DTXSID00619590 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 129 |
| Schmelzpunkt | 156 °C |
| Siedepunkt | 358.2±15.0 °C(Predicted) |
| Dichte | 2.082±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C(protect from light) |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 12.87±0.40(Predicted) |
| Farbe | Yellow to brown to purple |
| InChI | InChI=1S/C7H5IN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10) |
| InChIKey | CGCHCLICSHIAAM-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=C(I)C=C2)C=N1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, 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 3 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 (100%) |
| Zollcode | 29339980 |
Anwendungen & Verwendung
Verwenden
Used as a reactant for the preparation of indazole-pyridine based protein kinase B/Akt inhibitors.