HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1H-indazol-3-amine
1H-INDAZOL-3-AMINE · 3-AMINOINDAZOLE · 10P-212 · 3-Indazolamine · 1H-indazole-3-amine · 3-amino-1h-indazole · 1H-INDAZOL-3-YLAMINE · 1H-Indazole, 3-amino-
Identifikatoren & physikalische Daten
| CAS No. | 874-05-5 |
|---|---|
| Summenformel | C7H7N3 |
| Durchschnittliche Molmasse | 133,15 g/mol |
| Monoisotopische Masse | 133,06399722 g/mol |
| SMILES | Nc1n[nH]c2ccccc12 |
| InChIKey | YDTDKKULPWTHRV-UHFFFAOYSA-N |
| PubChem CID | 13399 |
| ChEMBL | CHEMBL1331627 |
| ChEBI | CHEBI:104899 |
| EC No. | 692-411-2 |
| DTXSID | DTXSID5061243 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,7 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 126 |
| LogP (Verteilungskoeffizient) | 1.0 |
| Schmelzpunkt | 156-157°C |
| Siedepunkt | 376.6±15.0 °C(Predicted) |
| Dichte | 1.367±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 14.89±0.40(Predicted) |
| Aggregatzustand | Liquid or Solid |
| Farbe | Clear, colorless or white to pale yellow |
| InChI | InChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10) |
| InChIKey | YDTDKKULPWTHRV-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C(N)=N1 |
| CAS Datenbank | 874-05-5(CAS DataBase Reference) |
| EPA chemische Informationen | 1H-Indazol-3-amine (874-05-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3259 |
| Zollcode | 29339900 |
| R-Sätze (R) | 34-25-36/37/38-22 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-36/37/39-45-22 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | Ⅲ |
Anwendungen & Verwendung
Verwenden
1H-Indazol-3-amine is a reagent used in the preparation of indazole derivatives as potential antimicrobial and antitumor agents.