HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 700642Erstellt: 27. Oktober 2026
(E)-o-Chlorcinnamsure
Einecs 213-363-7 · (E)-o-chlorocinnamic acid · 2-Chloro-trans-cinnamic acid · 2-Propenoic acid, 3-(2-chlorophenyl)-, (2E)-
https://huagongshe.com/de/chemical/700642
Identifikatoren & physikalische Daten
| CAS No. | 3752-25-8 |
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| Summenformel | C9H7ClO2 |
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| Durchschnittliche Molmasse | 182,6 g/mol |
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| Monoisotopische Masse | 182,0134572 g/mol |
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| SMILES | O=C(O)/C=C/c1ccccc1Cl |
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| InChIKey | KJRRTHHNKJBVBO-AATRIKPKSA-N |
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| PubChem CID | 700642 |
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| EC No. | 213-363-7 |
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| DTXSID | DTXSID301035497 |
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| Lokaler Name | (E)-o-Chlorcinnamsure |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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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 | 189 |
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| Schmelzpunkt | 212°C |
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| Siedepunkt | 260.71°C (rough estimate) |
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| Dichte | 1.2377 (rough estimate) |
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| Brechungsindex | 1.5426 (estimate) |
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| Lagerbedingungen | Store at room temperature |
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| pKa (Säurekonstante) | 4.29±0.10(Predicted) |
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| CAS Datenbank | 939-58-2 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (83%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (17%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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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| Regulatorische Informationen | Chemical: 2-Propenoic acid, 3-(2-chlorophenyl)- |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Dam. 1 (83%)Eye Irrit. 2 (17%)STOT SE 3 (97.9%)Acute Tox. 3 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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