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HCID 618671Erstellt: 27. Oktober 2026
4-Bromo-2,3,5,6-tetrafluoroaniline
4-BROMOTETRAFLUOROANILINE · 4-bromo-N,N,2,3-tetrafluoroaniline · 2,3,5,6-Tetrafluoro-4-bromoaniline · 4-BROMO-2,3,5,6-TETRAFLUOROANILINE · 4-Bromo-2,3,5,6-tetrafluoroaniline98% · 4-Bromo-2,3,5,6-tetrafluoroaniline 98% · 4-Bromo-2,3,5,6-tetrafluoraniline, 98% · Benzenamine, 4-bromo-2,3,5,6-tetrafluoro-
https://huagongshe.com/de/chemical/618671
Identifikatoren & physikalische Daten
| CAS No. | 1998-66-9 |
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| Summenformel | C6H2BrF4N |
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| Durchschnittliche Molmasse | 243,98 g/mol |
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| Monoisotopische Masse | 242,93067404 g/mol |
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| SMILES | Nc1c(F)c(F)c(Br)c(F)c1F |
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| InChIKey | LZUYSMHNMFCPBF-UHFFFAOYSA-N |
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| PubChem CID | 618671 |
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| EC No. | 627-662-9 |
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| DTXSID | DTXSID80347182 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
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| Polarare Oberfläche (TPSA) | 26 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 154 |
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| Schmelzpunkt | 59-61 °C (lit.) |
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| Siedepunkt | 104-106 °C(Press: 15 Torr) |
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| Dichte | 1.955±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | -0.92±0.10(Predicted) |
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| Farbe | Pale beige |
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| InChI | InChI=1S/C6H2BrF4N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2 |
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| InChIKey | LZUYSMHNMFCPBF-UHFFFAOYSA-N |
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| SMILES | C1(N)=C(F)C(F)=C(Br)C(F)=C1F |
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| CAS Datenbank | 1998-66-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 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 (97.6%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2921420090 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn,Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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