HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 847285Erstellt: 27. Oktober 2026
1,3-dimethyl-1H-pyrazole-4-carbaldehyde
1,3-dimethylpyrazole-4-carbaldehyde · 1,3-DiMethyl-1H-pyrazole-4-carboxaldehyde · AKOS B000370 · AKOS PAO-0261 · ART-CHEM-BB B000370 · TIMTEC-BB SBB000017 · 1,3-Dimethyl-4-formylpyrazole · 1,3-Dimethylpyrazole-4-carboxaldehyde
https://huagongshe.com/de/chemical/847285
Identifikatoren & physikalische Daten
| CAS No. | 25016-12-0 |
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| Summenformel | C6H8N2O |
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| Durchschnittliche Molmasse | 124,14 g/mol |
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| Monoisotopische Masse | 124,06366288 g/mol |
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| SMILES | Cc1nn(C)cc1C=O |
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| InChIKey | IGJREDVLGVEPFI-UHFFFAOYSA-N |
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| PubChem CID | 847285 |
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| ChEBI | CHEBI:229421 |
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| EC No. | 673-184-9 |
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| DTXSID | DTXSID20357205 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
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| Polarare Oberfläche (TPSA) | 34,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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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 | 116 |
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| Schmelzpunkt | 50℃ |
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| Siedepunkt | 98-100℃ (760 Torr) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| InChI | InChI=1S/C6H8N2O/c1-5-6(4-9)3-8(2)7-5/h3-4H,1-2H3 |
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| InChIKey | IGJREDVLGVEPFI-UHFFFAOYSA-N |
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| SMILES | N1(C)C=C(C=O)C(C)=N1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): 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 2 reports by companies from 2 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 (50%) |
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| Zollcode | 2933199090 |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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