HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 720529Erstellt: 27. Oktober 2026
3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid
BUTTPARK 52\11-22 · TIMTEC-BB SBB010222 · 3-(tert-Butyl)-5-carboxy-1-methyl-1H-pyrazole · 3-TERT-BUTYL-1-METHYLPYRAZOLE-5-CARBOXYLIC ACID · 5-tert-butyl-2-methylpyrazole-3-carboxylic acid · 3-(T-BUTYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID · 5-tert-Butyl-2-methyl-2H-pyrazol-3-carboxylic acid · 3-(tert-Butyl)-1-methyl-1H-pyrazole-carboxylic acid
https://huagongshe.com/de/chemical/720529
Identifikatoren & physikalische Daten
| CAS No. | 175277-11-9 |
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| Summenformel | C9H14N2O2 |
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| Durchschnittliche Molmasse | 182,22 g/mol |
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| Monoisotopische Masse | 182,10552769 g/mol |
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| SMILES | Cn1nc(C(C)(C)C)cc1C(=O)O |
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| InChIKey | SFSXXMXHJOSBAZ-UHFFFAOYSA-N |
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| PubChem CID | 720529 |
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| ChEMBL | CHEMBL1359408 |
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| EC No. | 874-977-4 |
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| DTXSID | DTXSID70352164 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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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 | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 210 |
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| Löslichkeit | >27.3 [ug/mL] (The mean of the results at pH 7.4) |
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| Schmelzpunkt | 151 °C |
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| Siedepunkt | 317.7±30.0 °C(Predicted) |
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| Dichte | 1.13 |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 3.15±0.25(Predicted) |
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| CAS Datenbank | 175277-11-9(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 2 reports by companies from 1 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) | 36/37/38-22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36/37/39-37/39 |
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| Gefahrenklasse | IRRITANT |
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