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HCID 9936Erstellt: 27. Oktober 2026
2,6-Dinitro-4-(trifluoromethyl)aniline
4-AMINO-3,5-DINOTROBENZOTRIFLUORIDE · 4-Amino-3,5-dinitrobenzotrifluoride · Penicillamine Impurity 4 Hydrochloride · 2,6-DINITRO-4-(TRIFLUOROMETHYL)ANILINE · 2,6-DINITRO-4-TRIFLUOROMETHYLBENZENAMINE · 2,6-DINITRO-4-TRIFLUOROMETHYLBENZENEAMINE · naphtho[2,3-g][1,3]benzodioxole-6,11-dione · 2,6-dinitro-4-(trifluoromethyl)phenylamine
https://huagongshe.com/de/chemical/9936
Identifikatoren & physikalische Daten
| CAS No. | 445-66-9 |
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| Summenformel | C7H4F3N3O4 |
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| Durchschnittliche Molmasse | 251,12 g/mol |
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| Monoisotopische Masse | 251,01539027 g/mol |
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| SMILES | Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] |
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| InChIKey | VACNDKUQVLNNLD-UHFFFAOYSA-N |
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| PubChem CID | 9936 |
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| EC No. | 626-240-1 |
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| DTXSID | DTXSID70196202 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 118 |
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| H-Brücken-Donoren | 1 |
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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 | 300 |
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| LogP (Verteilungskoeffizient) | 2.29 |
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| Schmelzpunkt | 144-149 °C (lit.) |
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| InChI | 1S/C7H4F3N3O4/c8-7(9,10)3-1-4(12(14)15)6(11)5(2-3)13(16)17/h1-2H,11H2 |
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| InChIKey | VACNDKUQVLNNLD-UHFFFAOYSA-N |
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| SMILES | Nc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O |
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| CAS Datenbank | 445-66-9(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 41 reports by companies from 4 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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| Zollcode | 2921420090 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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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 | 11 - Combustible Solids |
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