HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 736413Erstellt: 1. November 2026
4-(Trifluoromethylthio)bromobenzene
(4-Bromophenyl)(trifluoromethyl)sulfane · S-trifluoromethyl 4-97% · 4-Bromophenyltrifluorom · p-(Trifluoromethylthio)bromobenzene · 4-(Trifluoromethylthio)bromobenzene · P-BROMOPHENYL TRIFLUORO METHYLULFIDE · 4-BROMOPHENYL TRIFLUOROMETHYL SULFIDE · 4-BROMOPHENYL TRIFLUOROMETHYL SULPHIDE
https://huagongshe.com/de/chemical/736413
Identifikatoren & physikalische Daten
| CAS No. | 333-47-1 |
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| Summenformel | C7H4BrF3S |
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| Durchschnittliche Molmasse | 257,07 g/mol |
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| Monoisotopische Masse | 255,91691789 g/mol |
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| SMILES | FC(F)(F)Sc1ccc(Br)cc1 |
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| InChIKey | CQQBVMXLTBXNLB-UHFFFAOYSA-N |
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| PubChem CID | 736413 |
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| EC No. | 625-552-5 |
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| DTXSID | DTXSID10353019 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,3 |
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| Polarare Oberfläche (TPSA) | 25,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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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 | 140 |
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| Siedepunkt | 199-200 °C (lit.) |
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| Dichte | 1.710 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.5130(lit.) |
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| Flammpunkt | 182 °F |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | liquid |
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| Farbe | Clear, colourless |
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| BRN | 2361926 |
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| InChI | 1S/C7H4BrF3S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H |
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| InChIKey | CQQBVMXLTBXNLB-UHFFFAOYSA-N |
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| SMILES | FC(F)(F)Sc1ccc(Br)cc1 |
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| CAS Datenbank | 333-47-1(CAS DataBase Reference) |
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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)Aggregated GHS information provided per 47 reports by companies from 7 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 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3334 |
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| Zollcode | 29309090 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant/Stench |
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| Sicherheitshinweise (S) | 26-36 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 10 - Combustible liquids |
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