HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2103992Erstellt: 4. November 2026
1-ethyl-1H-1,2,3-benzotriazole-5-carboxylic acid
1-ETHYL-1H-BENZOTRIAZOLE-5-CARBOXYLIC ACID · 1H-Benzotriazole-5-carboxylic acid, 1-ethyl- · 1-Ethyl-1H-1,2,3-benzotriazole-5-carboxylic acid · 1-Ethyl-1H-benzo[d][1,2,3]triazole-5-carboxylic acid
https://huagongshe.com/de/chemical/2103992
Identifikatoren & physikalische Daten
| CAS No. | 691363-31-2 |
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| Summenformel | C9H9N3O2 |
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| Durchschnittliche Molmasse | 191,19 g/mol |
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| Monoisotopische Masse | 191,06947654 g/mol |
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| SMILES | CCn1nnc2cc(C(=O)O)ccc21 |
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| InChIKey | YFLSBGGTASGZIL-UHFFFAOYSA-N |
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| PubChem CID | 2103992 |
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| ChEMBL | CHEMBL440217 |
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| EC No. | 830-219-4 |
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| DTXSID | DTXSID80366535 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 68 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 234 |
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| Löslichkeit | 9.9 [ug/mL] (The mean of the results at pH 7.4) |
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| Schmelzpunkt | 233.00°C - 235.00°C |
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| Siedepunkt | 428.4±18.0 °C(Predicted) |
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| Dichte | 1.42±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 3.51±0.30(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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)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 | 2933998090 |
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