HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 313259Erstellt: 26. Oktober 2026
Methyl isoquinoline-5-carboxylate
methyl isoquinoline-5-carboxylate · NSC 226876 · Methyl 5-isoquinolinecarboxylate · 5-Isoquinolinecarboxylic acid methyl ester · Methyl 5-isoquinolinecarboxylate ISO 9001：2015 REACH
https://huagongshe.com/de/chemical/313259
Identifikatoren & physikalische Daten
| CAS No. | 16675-59-5 |
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| Summenformel | C11H9NO2 |
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| Durchschnittliche Molmasse | 187,19 g/mol |
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| Monoisotopische Masse | 187,06332853 g/mol |
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| SMILES | COC(=O)c1cccc2cnccc12 |
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| InChIKey | AYIKNXKAUAUIBW-UHFFFAOYSA-N |
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| PubChem CID | 313259 |
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| EC No. | 821-534-8 |
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| DTXSID | DTXSID10310405 |
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Chemische & physikalische Eigenschaften
| XLogP | 2 |
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| Polarare Oberfläche (TPSA) | 39,2 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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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 | 217 |
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| Schmelzpunkt | 66℃ |
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| Siedepunkt | 329.7±15.0 °C(Predicted) |
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| Dichte | 1.210±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Store at room temperature |
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| pKa (Säurekonstante) | 4.44±0.13(Predicted) |
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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. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Zollcode | 2933499090 |
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