HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 76974Erstellt: 27. Oktober 2026
3-Cyanobenzamide
m-Cyanobenzamide · m-cyano-benzamid · 3-cyano-benzamid · 3-CYANO-BENZAMIDE · Benzamide, 3-cyano- · Benzamide, m-cyano- (8CI) · Benzamide, 3-cyano- (9CI)
https://huagongshe.com/de/chemical/76974
Identifikatoren & physikalische Daten
| CAS No. | 3441-01-8 |
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| Summenformel | C8H6N2O |
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| Durchschnittliche Molmasse | 146,15 g/mol |
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| Monoisotopische Masse | 146,04801281 g/mol |
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| SMILES | N#Cc1cccc(C(N)=O)c1 |
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| InChIKey | PAQVSWFCADWSLB-UHFFFAOYSA-N |
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| PubChem CID | 76974 |
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| EC No. | 870-580-5 |
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| DTXSID | DTXSID40187985 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
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| Polarare Oberfläche (TPSA) | 66,9 |
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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 | 11 |
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| Formalladung | 0 |
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| Komplexität | 203 |
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| LogP (Verteilungskoeffizient) | 0.52 |
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| Schmelzpunkt | 222 °C(Solv: acetonitrile (75-05-8)) |
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| Siedepunkt | 327.7±25.0 °C(Predicted) |
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| Dichte | 1.24±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 15.10±0.50(Predicted) |
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| InChI | 1S/C8H6N2O/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H2,10,11) |
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| InChIKey | PAQVSWFCADWSLB-UHFFFAOYSA-N |
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| SMILES | NC(=O)c1cccc(c1)C#N |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 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) | WGK 3 |
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| Zollcode | 2926907090 |
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| R-Sätze (R) | 36 |
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| Sicherheitshinweise (S) | 26 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2 |
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| Lagerklasse | 11 - Combustible Solids |
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