HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 13624977Erstellt: 27. Oktober 2026
5-Methylpyrazine-2-carboxaldehyde
MFCD10697792 · 5-methylpyrazinaldehyde · 2-Formyl-5-methylpyrazine · 5-methylpyrazine-2-carbaldehyde · 5-Methylpyrazin-2-carboxaldehyde · 5-Methyl-2-pyrazinecarboxaldehyde · 5-Methylpyrazine-2-carboxaldehyde · 2-Pyrazinecarboxaldehyde, 5-methyl-
https://huagongshe.com/de/chemical/13624977
Identifikatoren & physikalische Daten
| CAS No. | 50866-30-3 |
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| Summenformel | C6H6N2O |
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| Durchschnittliche Molmasse | 122,12 g/mol |
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| Monoisotopische Masse | 122,04801281 g/mol |
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| SMILES | Cc1cnc(C=O)cn1 |
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| InChIKey | JUPFEWGPEBACJP-UHFFFAOYSA-N |
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| PubChem CID | 13624977 |
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| EC No. | 695-971-6 |
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| DTXSID | DTXSID60545285 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
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| Polarare Oberfläche (TPSA) | 42,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 105 |
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| Schmelzpunkt | 10-15℃ |
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| Siedepunkt | 273℃ |
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| Dichte | 1.176 |
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| Flammpunkt | 79℃ |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | low melting solid |
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| pKa (Säurekonstante) | 0.54±0.10(Predicted) |
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| Farbe | Light orange |
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| InChI | InChI=1S/C6H6N2O/c1-5-2-8-6(4-9)3-7-5/h2-4H,1H3 |
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| InChIKey | JUPFEWGPEBACJP-UHFFFAOYSA-N |
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| SMILES | C1(C=O)=NC=C(C)N=C1 |
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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, P317, 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 4 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 | Acute Tox. 4 (100%) |
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| Zollcode | 2933998090 |
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