HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 4130342Erstellt: 27. Oktober 2026
4-(Thiophen-3-yl)phenol
Phenol, 4-(3-thienyl)- · 4-(THIOPHEN-3-YL)PHENOL · 4-(THIOPHEN-3-YL)PHENOL 97 · 4-(Thiophen-3-yl)phenol 97%
https://huagongshe.com/de/chemical/4130342
Identifikatoren & physikalische Daten
| CAS No. | 29886-67-7 |
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| Summenformel | C10H8OS |
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| Durchschnittliche Molmasse | 176,24 g/mol |
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| Monoisotopische Masse | 176,02958605 g/mol |
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| SMILES | Oc1ccc(-c2ccsc2)cc1 |
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| InChIKey | OSVHLBAYRTYKBI-UHFFFAOYSA-N |
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| PubChem CID | 4130342 |
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| EC No. | 624-425-1 |
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| DTXSID | DTXSID80399661 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
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| Polarare Oberfläche (TPSA) | 48,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 141 |
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| Schmelzpunkt | 194-198 °C (lit.) |
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| Siedepunkt | 276.8±15.0 °C(Predicted) |
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| Dichte | 1.235±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 9.59±0.13(Predicted) |
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| Aggregatzustand | solid |
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| InChI | 1S/C10H8OS/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7,11H |
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| InChIKey | OSVHLBAYRTYKBI-UHFFFAOYSA-N |
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| SMILES | Oc1ccc(cc1)-c2ccsc2 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 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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| Hazard Classes and Categories | Acute Tox. 4 (100%)Eye Dam. 1 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2934999090 |
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| R-Sätze (R) | 22-41 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1 |
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