HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 6730Erstellt: 26. Oktober 2026
Bis(p-chlorphenyl)essigsure
2,2-BIS(4-CHLOROPHENYL)ACETIC ACID · 4,4'-DDA · bis(p-WLN: QYVR DG&R DG · TIMTEC-BB SBB003019 · P,P'-DDA, 100MG, NEAT · dda(degradationproduct) · DDA, Degradation Product · dichlorodiphenylaceticacid
https://huagongshe.com/de/chemical/6730
Identifikatoren & physikalische Daten
| CAS No. | 83-05-6 |
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| Summenformel | C14H10Cl2O2 |
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| Durchschnittliche Molmasse | 281,1 g/mol |
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| Monoisotopische Masse | 280,00578492 g/mol |
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| SMILES | O=C(O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |
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| InChIKey | YIOCIFXUGBYCJR-UHFFFAOYSA-N |
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| PubChem CID | 6730 |
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| ChEMBL | CHEMBL1879491 |
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| ChEBI | CHEBI:28139 |
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| EC No. | 201-451-8 |
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| DTXSID | DTXSID3040699 |
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| Lokaler Name | Bis(p-chlorphenyl)essigsure |
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Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
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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 | 3 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 258 |
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| SpringerMaterials Properties | Fusion temperature |
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| LogP (Verteilungskoeffizient) | 4.64 |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Schmelzpunkt | 167-169 °C (lit.) |
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| Siedepunkt | 392.54°C (rough estimate) |
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| Dichte | 1.2624 (rough estimate) |
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| Brechungsindex | 1.4730 (estimate) |
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| Lagerbedingungen | 0-6°C |
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| pKa (Säurekonstante) | 4.51±0.10(Predicted) |
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| BRN | 1913593 |
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| InChI | 1S/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18) |
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| InChIKey | YIOCIFXUGBYCJR-UHFFFAOYSA-N |
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| SMILES | OC(=O)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2 |
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| EPA chemische Informationen | p,p'-Dichlorodiphenylacetic acid (83-05-6) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 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) | 3 |
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| RTECS-Nr. | AF5475000 |
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| R-Sätze (R) | 20/21/22-40 |
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| Toxizität | sln-dmg-orl 3700 mmol/L MUREAV 16,157,72 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 7-22-36-45 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2 |
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| Lagerklasse | 11 - Combustible Solids |
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