HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 139082Erstellt: 27. Oktober 2026
1-benzyl-1H-imidazole-2-carbaldehyde
1-BENZYL-2-FORMYLIMIDAZOLE · 1-BENZYL IMIDAZOLE-2-ALDEHYDE · 1-Benzylimidazole-2-carboxaldehyde · 1-(benzyl)imidazole-2-carbaldehyde · 1-Benzyl-1H-imidazol-2-carbaldehyde · 1-Benzyl-1H-imidazole-2-carbaldehyde · Imidazole-2-carboxaldehyde, 1-benzyl- · 1-(phenylmethyl)imidazole-2-carbaldehyde
https://huagongshe.com/de/chemical/139082
Identifikatoren & physikalische Daten
| CAS No. | 10045-65-5 |
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| Summenformel | C11H10N2O |
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| Durchschnittliche Molmasse | 186,21 g/mol |
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| Monoisotopische Masse | 186,07931294 g/mol |
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| SMILES | O=Cc1nccn1Cc1ccccc1 |
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| InChIKey | AKFHFMMKMUJLBU-UHFFFAOYSA-N |
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| PubChem CID | 139082 |
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| EC No. | 851-455-4 |
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| DTXSID | DTXSID30143297 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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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 | 3 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 190 |
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| Siedepunkt | 128 °C(Press: 4 Torr) |
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| Dichte | 1.12±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 3.89±0.31(Predicted) |
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| InChI | InChI=1S/C11H10N2O/c14-9-11-12-6-7-13(11)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
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| InChIKey | AKFHFMMKMUJLBU-UHFFFAOYSA-N |
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| SMILES | C1(C=O)N(CC2=CC=CC=C2)C=CN=1 |
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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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| Gefahrenklasse | IRRITANT |
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