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2-Chlor-4-fluor-1-nitrobenzol
2-chloro-4-fluoro-1-nitrobenzene · 2-CHLORO-4-FLUORONITROBENZENE · 4-fluoro-2-chloronitrobenzene · 2-chloro-4-fluoronitrobenzenen · 1-Chloro-5-fluoro-2-nitroBenzene · 3-Chloro-1-fluoro-4-nitrobenzene · 2-Chloro-4-fluoronitrobenzene >2-CHLORO-4-FLUORONITROBENZENE 98% · Benzene, 2-chloro-4-fluoro-1-nitro-
Identifikatoren & physikalische Daten
| CAS No. | 2106-50-5 |
|---|---|
| Summenformel | C6H3ClFNO2 |
| Durchschnittliche Molmasse | 175,54 g/mol |
| Monoisotopische Masse | 174,98363424 g/mol |
| SMILES | O=[N+]([O-])c1ccc(F)cc1Cl |
| InChIKey | KQOOFMWRLDRDAX-UHFFFAOYSA-N |
| PubChem CID | 75017 |
| EC No. | 218-286-2 |
| DTXSID | DTXSID60175288 |
| Lokaler Name | 2-Chlor-4-fluor-1-nitrobenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 161 |
| Schmelzpunkt | 34-37°C |
| Siedepunkt | 71°C/2.3mmHg(lit.) |
| Dichte | 1.494±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO (Sparingly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | Light Yellow |
| InChI | InChI=1S/C6H3ClFNO2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H |
| InChIKey | KQOOFMWRLDRDAX-UHFFFAOYSA-N |
| SMILES | C1([N+]([O-])=O)=CC=C(F)C=C1Cl |
| CAS Datenbank | 2106-50-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (18.2%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (18.2%) |
| UN-Transportnummer | 2811 |
| Zollcode | 29049090 |
| R-Sätze (R) | 20/21/22-36/37/38-36/38-21/22 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-36/37 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | Ⅲ |
Anwendungen & Verwendung
Verwenden
2-Chloro-4-fluoronitrobenzene is used in the synthesis of active pharmaceutical ingredients (APIs), particularly benzothiazole derivatives.