HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 13637622Erstellt: 27. Oktober 2026
trimethyl-1H-pyrazole-4-carbonyl chloride
1,35-trimethylpyrazole-4-carbonyl chloride · 1,3,5-trimethylpyrazole-4-carboxylic acid chloride · 1H-Pyrazole-4-carbonyl chloride, 1,3,5-trimethyl- (9CI)
https://huagongshe.com/de/chemical/13637622
Identifikatoren & physikalische Daten
| CAS No. | 98298-63-6 |
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| Summenformel | C7H9ClN2O |
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| Durchschnittliche Molmasse | 172,61 g/mol |
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| Monoisotopische Masse | 172,04034059 g/mol |
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| SMILES | Cc1nn(C)c(C)c1C(=O)Cl |
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| InChIKey | UFNVZQRBSDFSPY-UHFFFAOYSA-N |
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| PubChem CID | 13637622 |
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| EC No. | 991-757-4 |
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| DTXSID | DTXSID50545618 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 34,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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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 | 174 |
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| Schmelzpunkt | 67-68 °C |
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| Siedepunkt | 140-150 °C(Press: 12 Torr) |
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| Dichte | 1.26±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 0.37±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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 | Acute Tox. 4 (100%) |
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| Zollcode | 2933119000 |
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