HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 69296Erstellt: 25. Oktober 2026
2-Cyanacetanilid
AKOS B029726 · Cyanoacetanilide · 2-Cyanacetanilid · 2-CYANOACETANILIDE · 2-Cyanoacetanilide,98% · N-Phenylcyanoacetamide · 2-Cyanoacetanilide >O-ACETAMIDOBENZONITRILE · O-ACETAMINOBENZONITRILE
https://huagongshe.com/de/chemical/69296
Identifikatoren & physikalische Daten
| CAS No. | 621-03-4 |
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| Summenformel | C9H8N2O |
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| Durchschnittliche Molmasse | 160,17 g/mol |
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| Monoisotopische Masse | 160,06366288 g/mol |
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| SMILES | N#CCC(=O)Nc1ccccc1 |
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| InChIKey | XCTQPMCULSZKLT-UHFFFAOYSA-N |
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| PubChem CID | 69296 |
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| ChEMBL | CHEMBL3334609 |
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| EC No. | 210-666-6 |
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| DTXSID | DTXSID0060727 |
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| Lokaler Name | 2-Cyanacetanilid |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 52,9 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 198 |
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| Schmelzpunkt | 198-202 °C |
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| Siedepunkt | 286.07°C (rough estimate) |
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| Dichte | 1.1846 (rough estimate) |
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| Brechungsindex | 1.5570 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | -1.03±0.10(Predicted) |
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| Farbe | White to Light yellow |
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| CAS Datenbank | 621-03-4 |
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| EPA chemische Informationen | Acetamide, 2-cyano-N-phenyl- (621-03-4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.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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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29269095 |
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| R-Sätze (R) | 20/21/22 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 24/25 |
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