HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 644585Erstellt: 27. Oktober 2026
methyl 3-phenyl-1H-pyrazole-5-carboxylate
AKOS B024669 · ART-CHEM-BB B024669 · TIMTEC-BB SBB009683 · Methyl-3-phenyl-1H-pyrazol-5-carboxylate · 3-(Methoxycarbonyl)-5-phenyl-1H-pyrazole · Methyl 5-phenyl-1H-pyrazole-3-carboxylate · 5-phenyl-1H-pyrazole-3-carboxylic acid Methyl este · 5-Phenyl-1H-pyrazole-3-carboxylic acid methyl ester
https://huagongshe.com/de/chemical/644585
Identifikatoren & physikalische Daten
| CAS No. | 56426-35-8 |
|---|
| Summenformel | C11H10N2O2 |
|---|
| Durchschnittliche Molmasse | 202,21 g/mol |
|---|
| Monoisotopische Masse | 202,07422757 g/mol |
|---|
| SMILES | COC(=O)c1cc(-c2ccccc2)n[nH]1 |
|---|
| InChIKey | ROXAFVODFXYSFO-UHFFFAOYSA-N |
|---|
| PubChem CID | 644585 |
|---|
| ChEMBL | CHEMBL1493025 |
|---|
| EC No. | 963-824-8 |
|---|
| DTXSID | DTXSID50349390 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|
| Polarare Oberfläche (TPSA) | 55 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 15 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 227 |
|---|
| Schmelzpunkt | 180~182℃ |
|---|
| Siedepunkt | 422.0±33.0 °C(Predicted) |
|---|
| Dichte | 1.1085 g/cm3(Temp: 19.1 °C) |
|---|
| Lagerbedingungen | 2-8°C |
|---|
| pKa (Säurekonstante) | 10.56±0.10(Predicted) |
|---|
| InChI | InChI=1S/C11H10N2O2/c1-15-11(14)10-7-9(12-13-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13) |
|---|
| InChIKey | ROXAFVODFXYSFO-UHFFFAOYSA-N |
|---|
| SMILES | N1C(C2=CC=CC=C2)=CC(C(OC)=O)=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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
| Zollcode | 2933199090 |
|---|
| Gefahrensymbole | Xi |
|---|
