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HCID 600040Erstellt: 25. Oktober 2026
4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid
4-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID · AKOS B000151 · ART-CHEM-BB B000151 · 1,3-dimethyl-4-chloropyrazole-5-carboxylic acid · 4-chloro-2,5-dimethyl-3-pyrazolecarboxylic acid · 4-chloro-2,5-dimethylpyrazole-3-carboxylic acid · 4-chloro-2,5-dimethyl-pyrazole-3-carboxylic acid · Pyrazole-5-carboxylic acid, 4-chloro-1,3-dimethyl-
https://huagongshe.com/de/chemical/600040
Identifikatoren & physikalische Daten
| CAS No. | 98198-65-3 |
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| Summenformel | C6H7ClN2O2 |
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| Durchschnittliche Molmasse | 174,58 g/mol |
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| Monoisotopische Masse | 174,01960514 g/mol |
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| SMILES | Cc1nn(C)c(C(=O)O)c1Cl |
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| InChIKey | BSCNPVBDEITWDU-UHFFFAOYSA-N |
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| PubChem CID | 600040 |
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| EC No. | 673-158-7 |
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| DTXSID | DTXSID00344870 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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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 | 11 |
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| Formalladung | 0 |
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| Komplexität | 176 |
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| Siedepunkt | 324.4±37.0 °C(Predicted) |
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| Dichte | 1.47±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 1.90±0.38(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (50%) |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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