HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 249089Erstellt: 27. Oktober 2026
4-Fluorobenzoyl isothiocyanate
NSC67049 · Benzoyl isothiocyanate, 4-fluoro-
https://huagongshe.com/de/chemical/249089
Identifikatoren & physikalische Daten
| CAS No. | 78225-74-8 |
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| Summenformel | C8H4FNOS |
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| Durchschnittliche Molmasse | 181,19 g/mol |
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| Monoisotopische Masse | 180,99976297 g/mol |
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| SMILES | O=C(N=C=S)c1ccc(F)cc1 |
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| InChIKey | GZMSWUYBYCVYKI-UHFFFAOYSA-N |
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| PubChem CID | 249089 |
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| EC No. | 805-214-5 |
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| DTXSID | DTXSID60290147 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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| Polarare Oberfläche (TPSA) | 61,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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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 | 217 |
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| Siedepunkt | 265.6±23.0 °C(Predicted) |
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| Dichte | 1.23±0.1 g/cm3(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
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