HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 573176Erstellt: 27. Oktober 2026
1-methyl-1H-pyrazole-3-carboxylic acid
SKL262 · AKOS B000139 · AKOS PAO-0549 · TIMTEC-BB SBB000008 · ART-CHEM-BB B000139 · 3-Carboxy-1-methyl-1H-pyrazole · 1-METHYLPYRAZOLE-3-CARBOXYLIC ACID · 1-Methyl-1H-pyrazol-3-carboxylic acid
https://huagongshe.com/de/chemical/573176
Identifikatoren & physikalische Daten
| CAS No. | 25016-20-0 |
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| Summenformel | C5H6N2O2 |
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| Durchschnittliche Molmasse | 126,11 g/mol |
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| Monoisotopische Masse | 126,04292743 g/mol |
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| SMILES | Cn1ccc(C(=O)O)n1 |
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| InChIKey | YBFIKNNFQIBIQZ-UHFFFAOYSA-N |
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| PubChem CID | 573176 |
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| ChEBI | CHEBI:74738 |
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| EC No. | 640-133-7 |
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| DTXSID | DTXSID10341451 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
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| Polarare Oberfläche (TPSA) | 55,1 |
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| H-Brücken-Donoren | 1 |
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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 | 126 |
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| Schmelzpunkt | 150-152 ºC |
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| Siedepunkt | 306.9±15.0 °C(Predicted) |
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| Dichte | 1.34±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 4.05±0.10(Predicted) |
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| Farbe | White to Orange to Green |
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| InChI | InChI=1S/C5H6N2O2/c1-7-3-2-4(6-7)5(8)9/h2-3H,1H3,(H,8,9) |
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| InChIKey | YBFIKNNFQIBIQZ-UHFFFAOYSA-N |
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| SMILES | N1(C)C=CC(C(O)=O)=N1 |
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| CAS Datenbank | 25016-20-0(CAS DataBase Reference) |
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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 10 reports by companies from 7 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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| Zollcode | 2933199090 |
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| R-Sätze (R) | 22-36/37/38 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 22-26-36/37/39 |
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| Gefahrenklasse | IRRITANT |
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