HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2736166Erstellt: 23. Oktober 2026
4-Nitro-1,2-bis(trifluoromethyl)benzene
3,4-Bis(trifluoromethyl)nitrobenzene · 4-nitro-1,2-di(trifluoromethyl)benzene · 1,2-BIS(TRIFLUOROMETHYL)-4-NITROBENZENE · 4-Nitro-1,2-bis(trifluoromethyl)benzene · Benzene, 4-nitro-1,2-bis(trifluoromethyl)- · 3,4-BIS(TRIFLUOROMETHYL)NITROBENZENE, 97% MIN. · 3,4-Bis(trifluoromethyl)nitrobenzene AldrichCPR · 1,2-Bis(trifluoromethyl)-4-nitrobenzene, alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-4-nitro-o-xylene
https://huagongshe.com/de/chemical/2736166
Identifikatoren & physikalische Daten
| CAS No. | 1978-20-7 |
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| Summenformel | C8H3F6NO2 |
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| Durchschnittliche Molmasse | 259,1 g/mol |
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| Monoisotopische Masse | 259,00679766 g/mol |
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| SMILES | O=[N+]([O-])c1ccc(C(F)(F)F)c(C(F)(F)F)c1 |
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| InChIKey | QGNGVSKFAUEJDF-UHFFFAOYSA-N |
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| PubChem CID | 2736166 |
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| EC No. | 691-577-3 |
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| DTXSID | DTXSID50371176 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
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| Polarare Oberfläche (TPSA) | 45,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 8 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 294 |
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| Schmelzpunkt | 23-25 °C |
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| Siedepunkt | 103-104°C 18mm |
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| Dichte | 1.539±0.06 g/cm3(Predicted) |
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| Aggregatzustand | solid |
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| InChI | 1S/C8H3F6NO2/c9-7(10,11)5-2-1-4(15(16)17)3-6(5)8(12,13)14/h1-3H |
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| InChIKey | QGNGVSKFAUEJDF-UHFFFAOYSA-N |
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| SMILES | FC(F)(F)c1c(ccc(c1)[N+](=O)[O-])C(F)(F)F |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P337+P317, P361+P364, 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 | Eye Irrit. 2 (50%) |
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| Zollcode | 2904990090 |
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| R-Sätze (R) | 36/37/38-36 |
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| Gefahrensymbole | T,Xi |
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| hazard_note | Toxic |
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| Sicherheitshinweise (S) | 26-37/39 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2 |
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| Lagerklasse | 11 - Combustible Solids |
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