HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 320165Erstellt: 27. Oktober 2026
4-(1H-imidazol-1-yl)aniline
LANA-IN-1 · AKOS B021935 · AKOS BB-8983 · AKOS BBS-00000369 · ART-CHEM-BB B021935 · 4-imidazolyl-aniline · 4-(1-imidazolyl)aniline · 4-(IMIDAZOL-1-YL)-ANILINE
https://huagongshe.com/de/chemical/320165
Identifikatoren & physikalische Daten
| CAS No. | 2221-00-3 |
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| Summenformel | C9H9N3 |
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| Durchschnittliche Molmasse | 159,19 g/mol |
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| Monoisotopische Masse | 159,07964729 g/mol |
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| SMILES | Nc1ccc(-n2ccnc2)cc1 |
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| InChIKey | LVOASPZGXNAHJI-UHFFFAOYSA-N |
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| PubChem CID | 320165 |
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| ChEMBL | CHEMBL1457337 |
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| EC No. | 606-953-4 |
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| DTXSID | DTXSID00313142 |
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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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| Polarare Oberfläche (TPSA) | 43,8 |
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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 | 12 |
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| Formalladung | 0 |
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| Komplexität | 141 |
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| Schmelzpunkt | 143-147 °C(lit.) |
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| Siedepunkt | 355.4±25.0 °C(Predicted) |
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| Dichte | 1.20±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Aggregatzustand | powder |
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| pKa (Säurekonstante) | 6.05±0.10(Predicted) |
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| InChI | 1S/C9H9N3/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,10H2 |
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| InChIKey | LVOASPZGXNAHJI-UHFFFAOYSA-N |
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| SMILES | Nc1ccc(cc1)-n2ccnc2 |
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| CAS Datenbank | 2221-00-3(CAS DataBase Reference) |
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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 41 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 | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29332900 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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