HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 70534Erstellt: 4. November 2026
α-Cyanzimtsure
2-CYANO-3-PHENYLACRYLIC ACID · AURORA KA-3649 · AKOS BBS-00007761 · α-CyanocinnamicAci · A-CYANOCINNAMIC ACID · alpha-cyanocinnamate · 2-CYANOCINNAMIC ACID · à-cyanocinnamic acid
https://huagongshe.com/de/chemical/70534
Identifikatoren & physikalische Daten
| CAS No. | 1011-92-3 |
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| Summenformel | C10H7NO2 |
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| Durchschnittliche Molmasse | 173,17 g/mol |
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| Monoisotopische Masse | 173,04767846 g/mol |
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| SMILES | N#CC(=Cc1ccccc1)C(=O)O |
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| InChIKey | CDUQMGQIHYISOP-UHFFFAOYSA-N |
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| PubChem CID | 70534 |
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| EC No. | 213-788-8 |
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| DTXSID | DTXSID6074419 |
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| Lokaler Name | α-Cyanzimtsure |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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| Polarare Oberfläche (TPSA) | 61,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 266 |
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| Schmelzpunkt | 181°C |
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| Siedepunkt | 337.9±30.0 °C(Predicted) |
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| Dichte | 1.285±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 0.60±0.10(Predicted) |
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| Farbe | White to Light yellow |
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| BRN | 2329199 |
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| CAS Datenbank | 1011-92-3(CAS DataBase Reference) |
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| EPA chemische Informationen | 2-Propenoic acid, 2-cyano-3-phenyl- (1011-92-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (86.4%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 44 reports by companies from 4 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. 3 (86.4%) |
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| Zollcode | 2926907090 |
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| RTECS-Nr. | GD8562500 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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