HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 235698Erstellt: 27. Oktober 2026
5-Fluorobenzimidazole
5-fluoro-1H-benzo[d]imidazole · NSC 37361 · 5-FLUOROBENZIMIDAZOLE · 5-Fluorobenzimidazole 98% · 6-fluoro-1H-benzimidazole · 5-Fluoro-1H-benzimidazole · 1H-BenziMidazole, 6-fluoro- · 1H-BENZIMIDAZOLE, 5-FLUORO-
https://huagongshe.com/de/chemical/235698
Identifikatoren & physikalische Daten
| CAS No. | 1977-72-6 |
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| Summenformel | C7H5FN2 |
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| Durchschnittliche Molmasse | 136,13 g/mol |
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| Monoisotopische Masse | 136,04367638 g/mol |
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| SMILES | Fc1ccc2nc[nH]c2c1 |
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| InChIKey | ZDSUKNAKOLBIPX-UHFFFAOYSA-N |
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| PubChem CID | 235698 |
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| ChEMBL | CHEMBL171283 |
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| EC No. | 885-347-3 |
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| DTXSID | DTXSID10284470 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 28,7 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 129 |
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| Schmelzpunkt | 132 °C |
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| Siedepunkt | 363.8±15.0 °C(Predicted) |
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| Dichte | 1.370±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) | 11.69±0.30(Predicted) |
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| InChI | 1S/C7H5FN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10) |
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| InChIKey | ZDSUKNAKOLBIPX-UHFFFAOYSA-N |
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| SMILES | Fc1ccc2[nH]cnc2c1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 2 reports by companies from 2 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 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2933998090 |
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| R-Sätze (R) | 41 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-39 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1 |
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