HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 42828Erstellt: 26. Oktober 2026
4-Aminonaphthalin-1-carbonitril
4-CYANO-1-NAPHTHYLAMINE · 4-AMINO-1-NAPHTHONITRILE · 1-Amino-4-cyano naphthalene · 4-amino-1-naphthalenecarbonitril · 4-aminonaphthalene-1-carbonitrile · 4-Amino-1-naphthalenecarbonitrile · 1-Naphthalenecarbonitrile, 4-amino- · 4-amino-1-naphthalene carboxynitrile
https://huagongshe.com/de/chemical/42828
Identifikatoren & physikalische Daten
| CAS No. | 58728-64-6 |
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| Summenformel | C11H8N2 |
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| Durchschnittliche Molmasse | 168,19 g/mol |
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| Monoisotopische Masse | 168,06874826 g/mol |
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| SMILES | N#Cc1ccc(N)c2ccccc12 |
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| InChIKey | LUSIZUFVMKYWGX-UHFFFAOYSA-N |
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| PubChem CID | 42828 |
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| ChEMBL | CHEMBL4168293 |
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| EC No. | 261-412-6 |
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| DTXSID | DTXSID80207434 |
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| Lokaler Name | 4-Aminonaphthalin-1-carbonitril |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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| Polarare Oberfläche (TPSA) | 49,8 |
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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 | 13 |
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| Formalladung | 0 |
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| Komplexität | 227 |
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| Schmelzpunkt | 174.5-176.5 °C (lit.) |
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| Siedepunkt | 287.13°C (rough estimate) |
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| Dichte | 1.1722 (rough estimate) |
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| Brechungsindex | 1.5200 (estimate) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 1.76±0.10(Predicted) |
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| InChI | 1S/C11H8N2/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-6H,13H2 |
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| InChIKey | LUSIZUFVMKYWGX-UHFFFAOYSA-N |
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| SMILES | Nc1ccc(C#N)c2ccccc12 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 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) | 3 |
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| Zollcode | 2926907090 |
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| RTECS-Nr. | QJ1865000 |
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| R-Sätze (R) | 20/21/22 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral |
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