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HCID 1745Erstellt: 26. Oktober 2026
4-Imidazolemethanol
1h-imidazole-4-methanol · 4-hydroxymethylglyoxaline · NSC 39016 · 4-Imidazolemethanol · RARECHEM AL BD 0762 · Imidazole-4-methanol · imidazol-4-ylmethano · imidazol-4-ylmethanol
https://huagongshe.com/de/chemical/1745
Identifikatoren & physikalische Daten
| CAS No. | 822-55-9 |
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| Summenformel | C4H6N2O |
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| Durchschnittliche Molmasse | 98,1 g/mol |
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| Monoisotopische Masse | 98,04801281 g/mol |
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| SMILES | OCc1cnc[nH]1 |
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| InChIKey | QDYTUZCWBJRHKK-UHFFFAOYSA-N |
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| PubChem CID | 1745 |
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| ChEMBL | CHEMBL1397797 |
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| ChEBI | CHEBI:28182 |
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| EC No. | 628-579-0 |
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| DTXSID | DTXSID40231619 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
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| Polarare Oberfläche (TPSA) | 48,9 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 57,7 |
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| Schmelzpunkt | 88-92 °C (lit.) |
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| Siedepunkt | 393.7±17.0 °C(Predicted) |
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| Dichte | 1.311±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 13.44±0.10(Predicted) |
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| InChI | InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6) |
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| InChIKey | QDYTUZCWBJRHKK-UHFFFAOYSA-N |
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| SMILES | C1NC(CO)=CN=1 |
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| CAS Datenbank | 822-55-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2933299090 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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