HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 22280352Erstellt: 27. Oktober 2026
Ethyl 2-(3-Chloro-2-pyridinyl)-5-oxo-3-pyrazolidinecarboxylate
ethyl 2-(3-chloropyridin-2-yl)-5-oxopyrazolidine-3-carboxylate · Ethyl 1-(3-chloro-2-pyridinyl)-3-pyrazolidone-5-carboxylate · ETHYL 1-(3-CHLORO-2-PYRIDINYL)-3-PYRAZOLIDINONE-5-CARBOXYLATE · Ethyl 2-(3-Chloro-2-Pyridinyl)-5-Oxo-3-Pyrazolidinecarboxylate · 2-(3-Chloro-2-pyridinyl)-5-oxo-3-pyrazolidinecarboxylic acid ethyl ester · 3-Pyrazolidinecarboxylic acid, 2-(3-chloro-2-pyridinyl)-5-oxo-, ethyl ester · 2-(3-chloro-2-pyridyl)-5-oxy-3-pyridineazolealkanecarboxylic acidethyl ester
https://huagongshe.com/de/chemical/22280352
Identifikatoren & physikalische Daten
| CAS No. | 500011-88-1 |
|---|
| Summenformel | C11H12ClN3O3 |
|---|
| Durchschnittliche Molmasse | 269,68 g/mol |
|---|
| Monoisotopische Masse | 269,05671892 g/mol |
|---|
| SMILES | CCOC(=O)C1CC(=O)NN1c1ncccc1Cl |
|---|
| InChIKey | GWGIBEMOOVJUPI-UHFFFAOYSA-N |
|---|
| PubChem CID | 22280352 |
|---|
| EC No. | 610-490-3 |
|---|
| DTXSID | DTXSID201179032 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|
| Polarare Oberfläche (TPSA) | 71,5 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 5 |
|---|
| Frei drehbare Bindungen | 4 |
|---|
| Schwere Atome | 18 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 339 |
|---|
| Schmelzpunkt | 132-134 °C |
|---|
| Dichte | 1.377±0.06 g/cm3(Predicted) |
|---|
| Dampfdruck | 0-0Pa at 20-50℃ |
|---|
| Aggregatzustand | Solid:crystalline |
|---|
| pKa (Säurekonstante) | 10.77±0.40(Predicted) |
|---|
| InChI | InChI=1S/C11H12ClN3O3/c1-2-18-11(17)8-6-9(16)14-15(8)10-7(12)4-3-5-13-10/h3-5,8H,2,6H2,1H3,(H,14,16) |
|---|
| InChIKey | GWGIBEMOOVJUPI-UHFFFAOYSA-N |
|---|
| SMILES | N1C(=O)CC(C(OCC)=O)N1C1=NC=CC=C1Cl |
|---|
| LogP (Verteilungskoeffizient) | 0.34 at 20℃ |
|---|
| Oberflächenspannung | 59.4mN/m at 1g/L and 20.7℃ |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 03-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30952 |
|---|
| Hazard Classes and Categories | Aquatic Chronic 2 (100%) |
|---|
| TSCA-Inventar-Status | TSCA listed |
|---|
