HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3049Erstellt: 31. Oktober 2026
Phenol, 4,4'-(1,2-diethylidene-1,2-ethanediyl)bis-
[2H4]-Dienestrol · Dienestrol-3′,3",5′,5"-d4 · 2,4-Dichlorobenzyl Alcohol Impurity 17 · 3,4-Bis(hydroxyphenyl)-2,4-hexadiene-d4 · Z,Z-Dienestrol-d4 DISCONTINUED, offer D448817 or D441818
https://huagongshe.com/de/chemical/3049
Identifikatoren & physikalische Daten
| CAS No. | 1313738-05-4 |
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| Summenformel | C18H18O2 |
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| Durchschnittliche Molmasse | 266,3 g/mol |
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| Monoisotopische Masse | 266,13067981 g/mol |
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| SMILES | CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1 |
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| InChIKey | NFDFQCUYFHCNBW-UHFFFAOYSA-N |
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| PubChem CID | 3049 |
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| ChEMBL | CHEMBL3188448 |
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| EC No. | 694-647-1 |
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| DTXSID | DTXSID7022382 |
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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 | 3 |
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| Schwere Atome | 20 |
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| Formalladung | 0 |
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| Komplexität | 318 |
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| SpringerMaterials Properties | Angular frequency |
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| LogP (Verteilungskoeffizient) | 5.9 |
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| Löslichkeit | 1.23e-02 g/L |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Schmelzpunkt | 227.5 °C |
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| Physical Description | Solid |
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| Aggregatzustand | solid |
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| InChI | 1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+/i9D,10D,11D,12D |
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| InChIKey | NFDFQCUYFHCNBW-XTALISAZSA-N |
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| SMILES | [2H]c1cc(cc([2H])c1O)C(=C/C)\C(=C\C)c2cc([2H])c(O)c([2H])c2 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH350 (100%): May cause cancer [Danger Carcinogenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Carc. 1B (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| R-Sätze (R) | 45-62 |
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| Gefahrensymbole | T |
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| Sicherheitshinweise (S) | 53-36/37-45 |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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| Gefahrenklasse | Carc. 1BRepr. 2 |
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