HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 643160Erstellt: 26. Oktober 2026
1-Methyl-1H-pyrazole-4-carboxylic acid
1-methylpyrazole-4-carboxylic acid · AKOS B000227 · AKOS PAO-0317 · TIMTEC-BB SBB000052 · IFLAB-BB F2124-0619 · ART-CHEM-BB B000227 · ASINEX-REAG BAS 10145669 · 4-Carboxy-1-methyl-1H-pyrazole
https://huagongshe.com/de/chemical/643160
Identifikatoren & physikalische Daten
| CAS No. | 5952-92-1 |
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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 | Cn1cc(C(=O)O)cn1 |
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| InChIKey | UPPPWUOZCSMDTR-UHFFFAOYSA-N |
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| PubChem CID | 643160 |
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| ChEMBL | CHEMBL393429 |
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| ChEBI | CHEBI:74741 |
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| EC No. | 639-427-8 |
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| DTXSID | DTXSID10349119 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
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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 | 203-208°C |
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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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| pKa (Säurekonstante) | 3.88±0.10(Predicted) |
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| Aggregatzustand | Powder or Crystalline Powder |
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| Farbe | White to pale yellow |
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| InChI | InChI=1S/C5H6N2O2/c1-7-3-4(2-6-7)5(8)9/h2-3H,1H3,(H,8,9) |
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| InChIKey | UPPPWUOZCSMDTR-UHFFFAOYSA-N |
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| SMILES | N1(C)C=C(C(O)=O)C=N1 |
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| CAS Datenbank | 5952-92-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.WarningH315 (83.3%): 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 6 reports by companies from 6 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 (83.3%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29331990 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 24/25 |
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| Gefahrenklasse | IRRITANT |
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| Lagerklasse | 13 - Non Combustible Solids |
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