HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1H-Indazol-5-ol
5-hydroxyindazole · 1H-INDAZOL-5-OL · 91H-Indazole-5-ol · 5-HYDROXY (1H)INDAZOLE · 5-Hydroxy-1H-indazole 97% · 5-Hydroxy-1H-indazole, 97+% · 5-Hydroxy-1H-indazole · 1H-Indazol-5-ol (6CI, 8CI, 9CI, ACI)
Identifikatoren & physikalische Daten
| CAS No. | 15579-15-4 |
|---|---|
| Summenformel | C7H6N2O |
| Durchschnittliche Molmasse | 134,14 g/mol |
| Monoisotopische Masse | 134,04801281 g/mol |
| SMILES | Oc1ccc2[nH]ncc2c1 |
| InChIKey | ZHDXWEPRYNHNDC-UHFFFAOYSA-N |
| PubChem CID | 101438 |
| EC No. | 675-111-6 |
| DTXSID | DTXSID60165967 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 48,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 129 |
| Schmelzpunkt | 186-191°C |
| Siedepunkt | 366.5±15.0 °C(Predicted) |
| Dichte | 1.434±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 9.22±0.40(Predicted) |
| Farbe | White to Light yellow |
| InChI | InChI=1S/C7H6N2O/c10-6-1-2-7-5(3-6)4-8-9-7/h1-4,10H,(H,8,9) |
| InChIKey | ZHDXWEPRYNHNDC-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=C(O)C=C2)C=N1 |
| CAS Datenbank | 15579-15-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933998090 |
| R-Sätze (R) | 22-41 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1 |
Anwendungen & Verwendung
Verwenden
5-Hydroxy-1H-indazole is a possible Rho kinase inhibitor. It is also used to discover (sulfamoylphenyl)indazolyl acetamides and carboxamides as inhibitors of mitotic kinase TTK.