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HCID 66765Erstellt: 26. Oktober 2026
5-Amino-1,3-dihydro-2H-benzimidazol-2-on
5-AMINOBENZIMIDAZOLONE · 5(6)-AMINOBENZOIMIDAZOLONE · 5-AMINO-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE · 7-AMINO-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE · AKOS BBS-00006487 · 5-aminobenzimdazolone · 5-Nitro benzimidazolone · Ilaprazole Impurity 170
https://huagongshe.com/de/chemical/66765
Identifikatoren & physikalische Daten
| CAS No. | 95-23-8 |
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| Summenformel | C7H7N3O |
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| Durchschnittliche Molmasse | 149,15 g/mol |
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| Monoisotopische Masse | 149,05891186 g/mol |
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| SMILES | Nc1ccc2[nH]c(=O)[nH]c2c1 |
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| InChIKey | BCXSVFBDMPSKPT-UHFFFAOYSA-N |
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| PubChem CID | 66765 |
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| EC No. | 202-401-8 |
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| DTXSID | DTXSID5059119 |
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| Lokaler Name | 5-Amino-1,3-dihydro-2H-benzimidazol-2-on |
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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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| Polarare Oberfläche (TPSA) | 67,2 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 183 |
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| Schmelzpunkt | >300 °C |
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| Siedepunkt | 201.4±19.0 °C(Predicted) |
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| Dichte | 1.363±0.06 g/cm3(Predicted) |
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| Dampfdruck | 0.001Pa at 20℃ |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
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| Aggregatzustand | Powder |
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| pKa (Säurekonstante) | 11.80±0.30(Predicted) |
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| Farbe | White to Amber to Dark purple |
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| InChI | InChI=1S/C7H7N3O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11) |
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| InChIKey | BCXSVFBDMPSKPT-UHFFFAOYSA-N |
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| SMILES | C1(=O)NC2=CC=C(N)C=C2N1 |
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| LogP (Verteilungskoeffizient) | -0.33 at 23℃ and pH6.5-7.5 |
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| CAS Datenbank | 95-23-8(CAS DataBase Reference) |
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| EPA chemische Informationen | 2H-Benzimidazol-2-one, 5-amino-1,3-dihydro- (95-23-8) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (18.8%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H412 (87.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 16 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Regulatorische Informationen | Status: Active Update: 06-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/1949 |
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| Hazard Classes and Categories | Acute Tox. 4 (18.8%)Eye Irrit. 2 (25%)Aquatic Chronic 3 (87.5%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2933998090 |
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| R-Sätze (R) | 36/37/38-36-22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2 |
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| Lagerklasse | 11 - Combustible Solids |
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