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HCID 76826Erstellt: 27. Oktober 2026
1H-Benzimidazol-2-carboxaldehyd
1H-benzo[d]imidazole-2-carbaldehyde · AKOS NCG1-0071 · CHEMBRDG-BB 430030 · CHEMBRDG-BB 4300303 · 2-Formylbenzimidazole · 2-Formyl-1H-benzimidazole · Benzimidazole-2-carbaldehyde · Benzimidazole-2-formaldehyde
https://huagongshe.com/de/chemical/76826
Identifikatoren & physikalische Daten
| CAS No. | 3314-30-5 |
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| Summenformel | C8H6N2O |
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| Durchschnittliche Molmasse | 146,15 g/mol |
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| Monoisotopische Masse | 146,04801281 g/mol |
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| SMILES | O=Cc1nc2ccccc2[nH]1 |
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| InChIKey | DQOSJWYZDQIMGM-UHFFFAOYSA-N |
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| PubChem CID | 76826 |
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| ChEBI | CHEBI:36636 |
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| EC No. | 222-004-3 |
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| DTXSID | DTXSID40186791 |
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| Lokaler Name | 1H-Benzimidazol-2-carboxaldehyd |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 45,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 160 |
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| Schmelzpunkt | 224°C |
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| Siedepunkt | 361.8±25.0 °C(Predicted) |
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| Dichte | 1.368±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 10.61±0.10(Predicted) |
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| Farbe | Light yellow to yellow |
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| InChI | InChI=1S/C8H6N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,9,10) |
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| InChIKey | DQOSJWYZDQIMGM-UHFFFAOYSA-N |
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| SMILES | C1(C=O)NC2=CC=CC=C2N=1 |
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| CAS Datenbank | 3314-30-5(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 44 reports by companies from 4 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 (93.2%) |
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| Zollcode | 2933499090 |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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