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HCID 1236449Erstellt: 27. Oktober 2026
4-(Imidazol-1-ylmethyl)benzonitrile
Compound Fr12469 · 1-(4-Cyanobenzyl)imidazole · 4-[(1-Imidazolyl)methyl]benzonitrile · 4-(1H-Imidazol-1-ylmethyl)benzonitrile · Benzonitrile, 4-(1H-imidazol-1-ylmethyl)- · 4-(1H-Imidazol-1-ylmethyl)benzonitrile 97%
https://huagongshe.com/de/chemical/1236449
Identifikatoren & physikalische Daten
| CAS No. | 112809-54-8 |
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| Summenformel | C11H9N3 |
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| Durchschnittliche Molmasse | 183,21 g/mol |
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| Monoisotopische Masse | 183,0796473 g/mol |
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| SMILES | N#Cc1ccc(Cn2ccnc2)cc1 |
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| InChIKey | LUSFCTSUDCCYLQ-UHFFFAOYSA-N |
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| PubChem CID | 1236449 |
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| ChEMBL | CHEMBL349822 |
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| ChEBI | CHEBI:194817 |
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| EC No. | 887-097-0 |
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| DTXSID | DTXSID80361242 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 41,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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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 | 222 |
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| Schmelzpunkt | 102.5-103.5 |
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| Siedepunkt | 398.0±25.0 °C(Predicted) |
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| Dichte | 1.11±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 6.56±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): 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, P317, 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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| Alarmwort | Achtung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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