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| | 4-Chloro-2-fluoronitrobenzene Basic information |
| Product Name: | 4-Chloro-2-fluoronitrobenzene | | Synonyms: | 4-CHLORO-2-FLUORONITROBENZENE;2-FLUORO-4-CHLORONITROBENZENE;1-CHLORO-3-FLUORO-4-NITROBENZENE;Chlorofluoronitrobenzene;4-Chlor-2-fluor-1-nitrobenzol;4-Chloro-2-fluoronitrobenzenen;2-fluoro-4-chloroitrobenzene;4-Chloro-5-fluoronitrobenzene | | CAS: | 700-37-8 | | MF: | C6H3ClFNO2 | | MW: | 175.54 | | EINECS: | 211-842-5 | | Product Categories: | Fluorine series | | Mol File: | 700-37-8.mol |  |
| | 4-Chloro-2-fluoronitrobenzene Chemical Properties |
| Melting point | 48°C | | Boiling point | 241.8±20.0 °C(Predicted) | | density | 1.494±0.06 g/cm3(Predicted) | | Fp | >110℃ | | storage temp. | Sealed in dry,Room Temperature | | form | powder to crystal | | color | 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 DataBase Reference | 700-37-8(CAS DataBase Reference) |
| Hazard Codes | Xi,Xn | | Risk Statements | 20/21/22-36/37/38-22 | | Safety Statements | 26-36/37/39-37 | | WGK Germany | WGK 3 | | HazardClass | IRRITANT | | HS Code | 29042090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | 4-Chloro-2-fluoronitrobenzene Usage And Synthesis |
| Description | 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.
| | Chemical Properties | Pale yellow solid | | Uses | 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]. | | Synthesis | General procedure: Potassium fluoride (KF), 2,4-dichloronitrobenzene (DCNB) and solvent are added to a Schott tube or reactor, which is subjected to a nitrogen atmosphere. Subsequently, the reaction mixture is heated at the specified temperature for 4 hours. Upon completion of the reaction, the reaction mixture is filtered and analyzed by gas chromatography.
Example 1: In this example, the following reaction conditions were used: a molar ratio of 2,4-dichloronitrobenzene (DCNB) to potassium fluoride (KF) of 1:2 (the actual amount used was 1.05 times the theoretical amount), and tetramethylammonium chloride (TMAC) in an amount of 0.04 times the molar amount of DCNB. The reaction was carried out at 170 °C for 4 h, using a Schott tube as the reaction vessel. Numbers in parentheses indicate the molar ratio relative to the substrate (DCNB). | | References | [1] Patent: US2004/24238, 2004, A1. Location in patent: Page 5
[2] Patent: US2004/24238, 2004, A1. Location in patent: Page 6
[3]
Ohmori, J., Shimizu-Sasamata, M., Okada, M., Sakamoto, S. (1996). Novel AMPA Receptor Antagonists: Synthesis and Structure−Activity Relationships of 1-Hydroxy-7-(1H-imidazol-1-yl)-6-nitro-2,3(1H,4H)- quinoxalinedione and Related Compounds. Journal of Medicinal Chemistry, 39(20), 3971–3979. https://doi.org/10.1021/jm960387+
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| | 4-Chloro-2-fluoronitrobenzene Preparation Products And Raw materials |
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