HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
methyl 1H-indazole-6-carboxylate
1H-indazole-6-carboxylate · Methyl indazole-6-carboxy... · Methyl indazole-6-carboxylate · Methyl 1H-indazol-6-carboxylate · METHYL 1H-INDAZOLE-6-CARBOXYLATE · 1H-Indazole-6-carboxylic acid methyl · INDAZOLE-6-CARBOXYLIC ACID METHYL ESTER · 1H-Indazole-6-carboxylic acid methyl ester
Identifikatoren & physikalische Daten
| CAS No. | 170487-40-8 |
|---|---|
| Summenformel | C9H8N2O2 |
| Durchschnittliche Molmasse | 176,17 g/mol |
| Monoisotopische Masse | 176,0585775 g/mol |
| SMILES | COC(=O)c1ccc2cn[nH]c2c1 |
| InChIKey | TUSICEWIXLMXEY-UHFFFAOYSA-N |
| PubChem CID | 286535 |
| EC No. | 681-410-2 |
| DTXSID | DTXSID20301622 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 55 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 208 |
| Schmelzpunkt | 142-144℃ |
| Siedepunkt | 345.2±15.0 °C(Predicted) |
| Dichte | 1.324±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 12.43±0.40(Predicted) |
| Farbe | White to Light yellow to Light orange |
| Löslichkeit | Soluble in water. |
| InChI | InChI=1S/C9H8N2O2/c1-13-9(12)6-2-3-7-5-10-11-8(7)4-6/h2-5H,1H3,(H,10,11) |
| InChIKey | TUSICEWIXLMXEY-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC(C(OC)=O)=C2)C=N1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (16.7%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933998090 |
Anwendungen & Verwendung
Verwenden
Methyl 1H-indazole-6-carboxylateis used in organic synthesis.