HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 233240Erstellt: 27. Oktober 2026
2-Benzimidazolecarboxylic acid
1H-benzo[d]imidazole-2-carboxylic acid · 1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID · 1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID · TRM · VITAS-BB TBB000613 · CHEMBRDG-BB 4400291 · 2-CarboxybenziMidazole · 2-Carboxy-1H-benzimidazole
https://huagongshe.com/de/chemical/233240
Identifikatoren & physikalische Daten
| CAS No. | 2849-93-6 |
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| Summenformel | C8H6N2O2 |
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| Durchschnittliche Molmasse | 162,15 g/mol |
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| Monoisotopische Masse | 162,04292743 g/mol |
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| SMILES | O=C(O)c1nc2ccccc2[nH]1 |
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| InChIKey | RHXSYTACTOMVLJ-UHFFFAOYSA-N |
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| PubChem CID | 233240 |
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| ChEBI | CHEBI:46117 |
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| EC No. | 674-586-7 |
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| DTXSID | DTXSID50283447 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 66 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 195 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
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| Schmelzpunkt | 176-180°C |
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| Siedepunkt | 444.0±28.0 °C(Predicted) |
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| Dichte | 1.506±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | powder |
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| pKa (Säurekonstante) | 1.44±0.30(Predicted) |
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| Farbe | Faint yellow |
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| InChI | 1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12) |
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| InChIKey | RHXSYTACTOMVLJ-UHFFFAOYSA-N |
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| SMILES | OC(=O)c1nc2ccccc2[nH]1 |
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| CAS Datenbank | 2849-93-6(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 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 (95.2%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2933998090 |
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| R-Sätze (R) | 36/37/38-41-37/38-22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36/37/39-39 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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