HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 424323Erstellt: 27. Oktober 2026
(5,6-Dimethyl-1H-benzimidazol-1-yl)acetic acid
2-(5,6-Dimethyl-1H-benzo[d]imidazol-1-yl) · 2-(5,6-dimethylbenzimidazol-1-yl)acetic acid · 1H-Benzimidazole-1-acetic acid, 5,6-dimethyl- · 2-(5,6-dimethyl-1H-benzo[d]imidazol-1-yl)acetic acid
https://huagongshe.com/de/chemical/424323
Identifikatoren & physikalische Daten
| CAS No. | 500872-62-8 |
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| Summenformel | C11H12N2O2 |
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| Durchschnittliche Molmasse | 204,22 g/mol |
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| Monoisotopische Masse | 204,08987762 g/mol |
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| SMILES | Cc1cc2ncn(CC(=O)O)c2cc1C |
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| InChIKey | FSWUHNJXLGYKCJ-UHFFFAOYSA-N |
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| PubChem CID | 424323 |
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| ChEMBL | CHEMBL1742310 |
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| EC No. | 676-460-7 |
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| DTXSID | DTXSID90329833 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 55,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 257 |
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| Siedepunkt | 429.9±47.0 °C(Predicted) |
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| Dichte | 1.26±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 3.38±0.10(Predicted) |
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| Aggregatzustand | solid |
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| InChI | 1S/C11H12N2O2/c1-7-3-9-10(4-8(7)2)13(6-12-9)5-11(14)15/h3-4,6H,5H2,1-2H3,(H,14,15) |
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| InChIKey | FSWUHNJXLGYKCJ-UHFFFAOYSA-N |
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| CAS Datenbank | 500872-62-8 |
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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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1 |
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