HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3154178Erstellt: 27. Oktober 2026
1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid
AKOS B008977 · TIMTEC-BB SBB009288 · ART-CHEM-BB B008977 · ASINEX-REAG BAS 06502682 · 1-(Difluoromethyl)pyrazole-3-carboxylic acid · 1-Difluoromethyl-1 H-pyrazole-3-carboxylic acid · 1H-Pyrazole-3-carboxylic acid, 1-(difluoromethyl)- · 1-(difluoromethyl)-1H-pyrazole-3-carboxylic acid - [D87928]
https://huagongshe.com/de/chemical/3154178
Identifikatoren & physikalische Daten
| CAS No. | 925179-02-8 |
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| Summenformel | C5H4F2N2O2 |
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| Durchschnittliche Molmasse | 162,09 g/mol |
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| Monoisotopische Masse | 162,0240837 g/mol |
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| SMILES | O=C(O)c1ccn(C(F)F)n1 |
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| InChIKey | IUAGBSGAPCSVAE-UHFFFAOYSA-N |
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| PubChem CID | 3154178 |
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| EC No. | 874-990-5 |
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| DTXSID | DTXSID70390041 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
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| Polarare Oberfläche (TPSA) | 55,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 165 |
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| Siedepunkt | 273.7±40.0 °C(Predicted) |
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| Dichte | 1.61±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Store at room temperature |
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| pKa (Säurekonstante) | 3.69±0.10(Predicted) |
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| Aggregatzustand | Solid |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| Zollcode | 2933199090 |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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