4-Chlor-2-fluor-1-nitrobenzol
4-CHLORO-2-FLUORO-1-NITROBENZENE · Chlorofluoronitrobenzene · 2-fluoro-4-chloroitrobenzene · 2-FLUORO-4-CHLORONITROBENZENE · 4-CHLORO-2-FLUORONITROBENZENE · 4-Chloro-5-fluoronitrobenzene · 4-Chlor-2-fluor-1-nitrobenzol · 4-Chloro-2-fluoronitrobenzenen
Identifikatoren & physikalische Daten
| CAS No. | 700-37-8 |
|---|---|
| Summenformel | C6H3ClFNO2 |
| Durchschnittliche Molmasse | 175,54 g/mol |
| Monoisotopische Masse | 174,98363424 g/mol |
| SMILES | O=[N+]([O-])c1ccc(Cl)cc1F |
| InChIKey | PTCPUGKKWNMITF-UHFFFAOYSA-N |
| PubChem CID | 69691 |
| EC No. | 211-842-5 |
| DTXSID | DTXSID40220260 |
| Lokaler Name | 4-Chlor-2-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 | 48°C |
| Siedepunkt | 241.8±20.0 °C(Predicted) |
| Dichte | 1.494±0.06 g/cm3(Predicted) |
| Flammpunkt | >110℃ |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Green |
| InChI | InChI=1S/C6H3ClFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H |
| InChIKey | PTCPUGKKWNMITF-UHFFFAOYSA-N |
| SMILES | C1([N+]([O-])=O)=CC=C(Cl)C=C1F |
| CAS Datenbank | 700-37-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (60%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 29042090 |
| R-Sätze (R) | 20/21/22-36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37/39-37 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
4-chloro-2-fluoronitrobenzene is a vital farming intermediate approximately, such as synthetic low toxicity, broad spectrum, ultra-high efficiency weedicide fluthiacetmethyl. The existing synthetic method has a great majority of 2, and 4-dichloronitrobenzene is a starting raw material, so prepare 4-chloro-2-fluoronitrobenzene through the halogen replacement(metathesis)reaction.
Verwenden
4-Chloro-2-fluoronitrobenzene serves as a precursor for synthesizing 5-(1H-imidazol-1-yl)-N-methyl-2-nitroaniline via sequential reaction with aqueous methylamine and imidazole[3].