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1,2,4-Trifluor-5-nitrobenzol
2,4,5-TRIFLUORONITROBENZENE · 1,2,4-Trifluoro-5-ni · uoronitrobenzene 98% · 2,4,5-TRIFLUOROBENZENE · 4-chloro-2-flurophenol · Oliceridine Impurity 19 · 1,2,4-Trifluor-5-nitrobenzol · 1-Nitro-2,4,5-trifluorobenzene
Identifikatoren & physikalische Daten
| CAS No. | 2105-61-5 |
|---|---|
| Summenformel | C6H2F3NO2 |
| Durchschnittliche Molmasse | 177,08 g/mol |
| Monoisotopische Masse | 177,00376296 g/mol |
| SMILES | O=[N+]([O-])c1cc(F)c(F)cc1F |
| InChIKey | ROJNMGYMBLNTPK-UHFFFAOYSA-N |
| PubChem CID | 75012 |
| EC No. | 218-281-5 |
| DTXSID | DTXSID30175270 |
| Lokaler Name | 1,2,4-Trifluor-5-nitrobenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 184 |
| Schmelzpunkt | -11 °C (lit.) |
| Siedepunkt | 194-195 °C (lit.) |
| Dichte | 1.544 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.493-1.495 |
| Flammpunkt | 89 °C |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Light yellow to Brown to Dark green |
| Wichte | 1.56 |
| BRN | 2504370 |
| InChI | InChI=1S/C6H2F3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H |
| InChIKey | ROJNMGYMBLNTPK-UHFFFAOYSA-N |
| SMILES | C1(F)=CC([N+]([O-])=O)=C(F)C=C1F |
| CAS Datenbank | 2105-61-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1,2,4-trifluoro-5-nitro-(2105-61-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (81.6%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 2 (81.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 |
| Zollcode | 29049090 |
| R-Sätze (R) | 36/37/38-20/21/22-25 |
| Gefahrensymbole | Xn,Xi,T |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 36/37/39-26-45-37/39 |
| Gefahrenklasse | 6.1Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
1,2,4-Trifluoro-5-nitrobenzene is used as a raw material in organic synthesis for the preparation of other benzene derivatives.