HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Indazol
1H-INDAZOLE · Indazol · BENZOPYRAZOLE · Isoindazole · 2-Azaindole · Indazole(6CI) · INDAZOLE · 1h-indazol
Identifikatoren & physikalische Daten
| CAS No. | 271-44-3 |
|---|---|
| Summenformel | C7H6N2 |
| Durchschnittliche Molmasse | 118,14 g/mol |
| Monoisotopische Masse | 118,05309819 g/mol |
| SMILES | c1ccc2[nH]ncc2c1 |
| InChIKey | BAXOFTOLAUCFNW-UHFFFAOYSA-N |
| PubChem CID | 9221 |
| ChEMBL | CHEMBL86795 |
| ChEBI | CHEBI:36669 |
| EC No. | 205-978-4 |
| DTXSID | DTXSID4075374 |
| Lokaler Name | Indazol |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 103 |
| Stoffklassen | Nitrogen Compounds -> Other Nitrogen Rings |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Dampfdruck | 0.00148 [mmHg] |
| Physical Description | Solid[Merck Index] White crystalline powder[Alfa Aesar MSDS] |
| Ionization Efficiency | Positive3.042.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Schmelzpunkt | 145-148 °C (lit.) |
| Siedepunkt | 270 °C/743 mmHg (lit.) |
| Dichte | 1.4220 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Flammpunkt | 270°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 14.00±0.10(Predicted) |
| Aggregatzustand | Needle-Like Crystalline Powder |
| Farbe | White to beige |
| Löslichkeit | SOLUBLE IN HOT WATER |
| Merck | 14,4936 |
| BRN | 109676 |
| InChI | 1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9) |
| InChIKey | BAXOFTOLAUCFNW-UHFFFAOYSA-N |
| SMILES | c1ccc2[nH]ncc2c1 |
| CAS Datenbank | 271-44-3(CAS DataBase Reference) |
| NIST chemische Informationen | 1H-Indazole(271-44-3) |
| EPA chemische Informationen | Indazole (271-44-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.WarningH315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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. |
|---|---|
| Gefahrenübersicht | May cause irritation[Alfa Aesar MSDS] See Benzydamine hydrochloride. |
| Hazard Classes and Categories | Skin Irrit. 2 (75%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339990 |
| RTECS-Nr. | NK7745000 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1H-Indazole is used in organic synthesis, it can react with butyryl chloride and 1-butyryl-1H-indazole. It is also used in synthesis of several small molecule inhibitors as potential cancer therapeutics.