HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 76427Erstellt: 27. Oktober 2026
p-Cyanbenzamid
cyanobenzamide · 4-cyanobenamide · 4-cyano-benzamid · p-cyano-benzamid · 4-Cyanobenzamide · P-CYANO BENZAMIDE · Benzamide, 4-cyano- · 4-Cyanobenzamide,98%
https://huagongshe.com/de/chemical/76427
Identifikatoren & physikalische Daten
| CAS No. | 3034-34-2 |
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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#Cc1ccc(C(N)=O)cc1 |
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| InChIKey | FUKWTMJZHKZKFA-UHFFFAOYSA-N |
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| PubChem CID | 76427 |
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| EC No. | 221-223-1 |
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| DTXSID | DTXSID90184424 |
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| Lokaler Name | p-Cyanbenzamid |
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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 | 195 |
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| SpringerMaterials Properties | Chemical shift |
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| LogP (Verteilungskoeffizient) | 0.48 |
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| Schmelzpunkt | 227 °C |
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| Siedepunkt | 265.75°C (rough estimate) |
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| Dichte | 1.2312 (rough estimate) |
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| Brechungsindex | 1.4900 (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) | 15.18±0.50(Predicted) |
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| Farbe | White to Light yellow |
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| CAS Datenbank | 3034-34-2(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 139 reports by companies from 5 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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| UN-Transportnummer | 3439 |
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| Zollcode | 29269095 |
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| RTECS-Nr. | CV2484500 |
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| R-Sätze (R) | 20/21/22-36/37/38-21/22 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-37/39-36/37 |
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| Gefahrenklasse | 6.1 |
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