HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 640759Erstellt: 27. Oktober 2026
2-Ethynyl-4-methylaniline
Benzenamine, 2-ethynyl-4-methyl- · 2-Ethynyl-4-methylaniline - [E51676] · Benzenamine, 2-ethynyl-4-methyl- (9CI)
https://huagongshe.com/de/chemical/640759
Identifikatoren & physikalische Daten
| CAS No. | 215589-37-0 |
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| Summenformel | C9H9N |
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| Durchschnittliche Molmasse | 131,17 g/mol |
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| Monoisotopische Masse | 131,07349929 g/mol |
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| SMILES | C#Cc1cc(C)ccc1N |
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| InChIKey | VCOACWPANOYCBP-UHFFFAOYSA-N |
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| PubChem CID | 640759 |
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| EC No. | 108-823-8 |
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| DTXSID | DTXSID50348803 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 26 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 153 |
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| Siedepunkt | 241.8±33.0 °C(Predicted) |
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| Dichte | 1.03±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 2.44±0.10(Predicted) |
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| InChI | 1S/C9H9N/c1-3-8-6-7(2)4-5-9(8)10/h1,4-6H,10H2,2H3 |
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| InChIKey | VCOACWPANOYCBP-UHFFFAOYSA-N |
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| SMILES | NC1=C(C#C)C=C(C)C=C1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| R-Sätze (R) | 36 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2 |
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