HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 138233Erstellt: 27. Oktober 2026
Hexadecyl isothiocyanate
Hexadecyl isothiocyate · HEXADECYL ISOTHIOCYANATE · N-HEXADECYLISOTHIOCYANATE · 1-Isothiocyanatohexadecane · Hexadecane, 1-isothiocyanato-
https://huagongshe.com/de/chemical/138233
Identifikatoren & physikalische Daten
| CAS No. | 4426-87-3 |
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| Summenformel | C17H33NS |
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| Durchschnittliche Molmasse | 283,5 g/mol |
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| Monoisotopische Masse | 283,23337106 g/mol |
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| SMILES | CCCCCCCCCCCCCCCCN=C=S |
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| InChIKey | KLULJVSOVKADRQ-UHFFFAOYSA-N |
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| PubChem CID | 138233 |
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| EC No. | 671-038-9 |
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| DTXSID | DTXSID80196091 |
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Chemische & physikalische Eigenschaften
| XLogP | 9,3 |
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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 | 15 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 209 |
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| Siedepunkt | 180 °C |
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| Dichte | 0,88 g/cm3 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
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| Gefahrenklasse | IRRITANT-HARMFUL |
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