HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2773239Erstellt: 27. Oktober 2026
1-Benzyl-1H-imidazole-5-carboxaldehyde
160175 · AKOS BB-8933 · TIMTEC-BB SBB010121 · ASINEX-REAG BAS 12433644 · 1-Benzyl-1H-imidazole-5-carbox · 3-benzylimidazole-4-carbaldehyde · 1-BENZYLIMIDAZOLE-5-CARBALDEHYDE · 1-BENZYL-1H-IMIDAZOLE-5-CARBALDEHYDE
https://huagongshe.com/de/chemical/2773239
Identifikatoren & physikalische Daten
| CAS No. | 85102-99-4 |
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| Summenformel | C11H10N2O |
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| Durchschnittliche Molmasse | 186,21 g/mol |
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| Monoisotopische Masse | 186,07931295 g/mol |
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| SMILES | O=Cc1cncn1Cc1ccccc1 |
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| InChIKey | QONDAZCJAPQGRX-UHFFFAOYSA-N |
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| PubChem CID | 2773239 |
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| ChEMBL | CHEMBL191540 |
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| EC No. | 813-383-1 |
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| DTXSID | DTXSID80378299 |
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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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| Schmelzpunkt | 46-49°C |
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| Siedepunkt | 201-203 °C(Press: 23 Torr) |
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| Dichte | 1.12±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Inert atmosphere,2-8°C |
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| Löslichkeit | DCM |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 3.65±0.13(Predicted) |
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| Farbe | Pale Yellow |
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| InChI | 1S/C11H10N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,8-9H,7H2 |
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| InChIKey | QONDAZCJAPQGRX-UHFFFAOYSA-N |
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| SMILES | O=Cc1cncn1Cc2ccccc2 |
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| CAS Datenbank | 85102-99-4(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Acute Tox. 4 (50%)Skin Irrit. 2 (50%)Eye Irrit. 2 (100%)STOT SE 3 (50%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2933299090 |
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| R-Sätze (R) | 36/37/38-36-22 |
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| Gefahrensymbole | Xi,Xn |
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| hazard_note | Irritant/Keep Cold |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2 |
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| Lagerklasse | 11 - Combustible Solids |
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