HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 51138321Erstellt: 4. November 2026
4-Ethynyl-1-methyl-1H-pyrazole
4-ethynyl-1-methylpyrazole · EOS-61650 · 1-Methyl-4-ethynyl-1H-pyrazole · 4-ethynyl-1-Methyl-1-H-pyrazole · 1H-Pyrazole, 4-ethynyl-1-methyl- · 4-ethynyl-1-methyl-1H-pyrazole - [E23482] · 4-Ethynyl-1-methyl-1H-pyrazole
https://huagongshe.com/de/chemical/51138321
Identifikatoren & physikalische Daten
| CAS No. | 39806-89-8 |
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| Summenformel | C6H6N2 |
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| Durchschnittliche Molmasse | 106,13 g/mol |
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| Monoisotopische Masse | 106,05309819 g/mol |
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| SMILES | C#Cc1cnn(C)c1 |
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| InChIKey | RACKOVAPLUVOJA-UHFFFAOYSA-N |
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| PubChem CID | 51138321 |
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| EC No. | 800-860-4 |
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| DTXSID | DTXSID20679777 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
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| Polarare Oberfläche (TPSA) | 17,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 122 |
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| Siedepunkt | 181.7±13.0 °C(Predicted) |
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| Dichte | 0.93±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 0+-.0.10(Predicted) |
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| InChI | InChI=1S/C6H6N2/c1-3-6-4-7-8(2)5-6/h1,4-5H,2H3 |
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| InChIKey | RACKOVAPLUVOJA-UHFFFAOYSA-N |
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| SMILES | N1(C)C=C(C#C)C=N1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (66.7%): 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)Aggregated GHS information provided per 3 reports by companies from 3 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 (66.7%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2933199090 |
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| Lagerklasse | 11 - Combustible Solids |
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