HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 97032Erstellt: 2. November 2026
3,3',5,5'-Tetrachloro-4,4'-biphenyldiol
3,3',5,5'-tetrachloro-4,4'-diphenol · 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL · 4,4'-Biphenyldiol, 3,3',5,5'-tetrachloro- · [1,1'-Biphenyl]-4,4'-diol, 3,3',5,5'-tetrachloro-
https://huagongshe.com/de/chemical/97032
Identifikatoren & physikalische Daten
| CAS No. | 13049-13-3 |
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| Summenformel | C12H6Cl4O2 |
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| Durchschnittliche Molmasse | 324 g/mol |
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| Monoisotopische Masse | 321,91219 g/mol |
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| SMILES | Oc1c(Cl)cc(-c2cc(Cl)c(O)c(Cl)c2)cc1Cl |
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| InChIKey | YCYDXOVJXVALHY-UHFFFAOYSA-N |
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| PubChem CID | 97032 |
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| ChEMBL | CHEMBL83116 |
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| ChEBI | CHEBI:35434 |
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| EC No. | 999-170-5 |
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| DTXSID | DTXSID5022352 |
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Chemische & physikalische Eigenschaften
| XLogP | 5,4 |
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| Polarare Oberfläche (TPSA) | 40,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 239 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| LogP (Verteilungskoeffizient) | 5.14 |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Collision Cross Section | 163.86 Ų [M-H]- [CCS Type: cIM (TWIMS)Drift Gas: nitrogenMethod: calibrated with in-house mix] |
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| Schmelzpunkt | 235 °C |
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| Siedepunkt | 389.6±37.0 °C(Predicted) |
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| Dichte | 1.624±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 5.92±0.40(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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