HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 643158Erstellt: 25. Oktober 2026
1-methyl-1H-pyrazole-5-carboxylic acid
SKL263 · AKOS B000141 · AKOS PAO-0505 · CHEMBRDG-BB 4401287 · ART-CHEM-BB B000141 · TIMTEC-BB SBB000007 · 1-Methyl-1H-pyrazole-5-ca... · 1-Methyl-pyrazole-5-carboxylicacid
https://huagongshe.com/de/chemical/643158
Identifikatoren & physikalische Daten
| CAS No. | 16034-46-1 |
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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 | Cn1nccc1C(=O)O |
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| InChIKey | JREJQAWGQCMSIY-UHFFFAOYSA-N |
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| PubChem CID | 643158 |
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| ChEMBL | CHEMBL2287221 |
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| ChEBI | CHEBI:74737 |
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| EC No. | 673-167-6 |
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| DTXSID | DTXSID50349118 |
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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 | 220-225 °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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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 3.03±0.25(Predicted) |
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| Farbe | White to Almost white |
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| InChI | 1S/C5H6N2O2/c1-7-4(5(8)9)2-3-6-7/h2-3H,1H3,(H,8,9) |
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| InChIKey | JREJQAWGQCMSIY-UHFFFAOYSA-N |
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| SMILES | Cn1nccc1C(O)=O |
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| CAS Datenbank | 16034-46-1(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 47 reports by companies from 5 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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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 2811 |
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| Zollcode | 29331990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Harmful |
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| Sicherheitshinweise (S) | 26-37/39 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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