HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 590739Erstellt: 4. November 2026
4-Decylphenyl isothiocyanate
4-Decylphenyl isothiocyate · 4-Decylphenyl isothiocyanate · Benzene, 1-decyl-4-isothiocyanato-
https://huagongshe.com/de/chemical/590739
Identifikatoren & physikalische Daten
| CAS No. | 206559-54-8 |
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| Summenformel | C17H25NS |
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| Durchschnittliche Molmasse | 275,5 g/mol |
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| Monoisotopische Masse | 275,17077098 g/mol |
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| SMILES | CCCCCCCCCCc1ccc(N=C=S)cc1 |
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| InChIKey | KLRFMWXUZQXOFA-UHFFFAOYSA-N |
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| PubChem CID | 590739 |
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| EC No. | 673-980-6 |
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| DTXSID | DTXSID10343591 |
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Chemische & physikalische Eigenschaften
| XLogP | 8,2 |
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| Polarare Oberfläche (TPSA) | 44,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 10 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 250 |
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| Schmelzpunkt | 40°C |
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| Siedepunkt | 383.8±21.0 °C(Predicted) |
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| Dichte | 0.94±0.1 g/cm3(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 | Skin Irrit. 2 (100%) |
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| Gefahrenklasse | IRRITANT-HARMFUL |
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