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HCID 152258Erstellt: 27. Oktober 2026
1-Methyl-1H-imidazole-4,5-dicarboxylic Acid
1-METHYL-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID · 1-METHYLIMIDAZOLE-4,5-DICARBOXYLIC ACID · RARECHEM AL BO 0966 · 4,5-DICARBOXY-1-METHYL · 4,5-Dicarboxy-1-methyl imidazole · 4,5-Dicarboxy-1-methyl-1H-imidazole · 1-Methyl-4,5-iMidazole-dicarboxylicacid · 4,5-Dicarboxy-1-methyl-1H-imidazole ,98%
https://huagongshe.com/de/chemical/152258
Identifikatoren & physikalische Daten
| CAS No. | 19485-38-2 |
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| Summenformel | C6H6N2O4 |
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| Durchschnittliche Molmasse | 170,12 g/mol |
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| Monoisotopische Masse | 170,03275667 g/mol |
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| SMILES | Cn1cnc(C(=O)O)c1C(=O)O |
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| InChIKey | YARDQACXPOQDMO-UHFFFAOYSA-N |
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| PubChem CID | 152258 |
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| EC No. | 691-353-5 |
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| DTXSID | DTXSID50173137 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
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| Polarare Oberfläche (TPSA) | 92,4 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 218 |
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| Schmelzpunkt | 253-254°C |
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| Siedepunkt | 531.6±35.0 °C(Predicted) |
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| Dichte | 1.63±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 0.66±0.10(Predicted) |
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| Farbe | White to Light yellow |
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| InChI | InChI=1S/C6H6N2O4/c1-8-2-7-3(5(9)10)4(8)6(11)12/h2H,1H3,(H,9,10)(H,11,12) |
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| InChIKey | YARDQACXPOQDMO-UHFFFAOYSA-N |
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| SMILES | C1N(C)C(C(O)=O)=C(C(O)=O)N=1 |
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| CAS Datenbank | 19485-38-2(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]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)Aggregated GHS information provided per 3 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 | Acute Tox. 4 (66.7%) |
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| Zollcode | 29349990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | IRRITANT |
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