HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2781239Erstellt: 27. Oktober 2026
Methyl 6-quinoxalinecarboxylate
METHYL QUINOXALINE-6-CARBOXYLATE · 6-quinoxaL · RARECHEM AM LA 0028 · Methyl 6-quinoxalinecarboxylate · Methyl 6-quinoxalinecarboxylate 97% · 6-Quinoxalinecarboxylic acid methyl ester · QUINOXALINE-6-CARBOXYLIC ACID METHYL ESTER
https://huagongshe.com/de/chemical/2781239
Identifikatoren & physikalische Daten
| CAS No. | 23088-23-5 |
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| Summenformel | C10H8N2O2 |
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| Durchschnittliche Molmasse | 188,18 g/mol |
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| Monoisotopische Masse | 188,0585775 g/mol |
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| SMILES | COC(=O)c1ccc2nccnc2c1 |
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| InChIKey | VFPWJISMXACHIG-UHFFFAOYSA-N |
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| PubChem CID | 2781239 |
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| ChEMBL | CHEMBL1572657 |
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| EC No. | 625-472-0 |
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| DTXSID | DTXSID60381761 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 52,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 220 |
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| Löslichkeit | 22.7 [ug/mL] (The mean of the results at pH 7.4) |
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| Schmelzpunkt | 97-101 °C |
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| Siedepunkt | 318.2±22.0 °C(Predicted) |
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| Dichte | 1.272±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder |
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| pKa (Säurekonstante) | -0.31±0.30(Predicted) |
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| InChI | 1S/C10H8N2O2/c1-14-10(13)7-2-3-8-9(6-7)12-5-4-11-8/h2-6H,1H3 |
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| InChIKey | VFPWJISMXACHIG-UHFFFAOYSA-N |
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| SMILES | COC(=O)c1ccc2nccnc2c1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2933998090 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36/37/39-36/37 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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