Benzene, 1-chloro-2-fluoro-4-methyl-5-nitro-

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Benzene, 1-chloro-2-fluoro-4-methyl-5-nitro- Basic information
Product Name:Benzene, 1-chloro-2-fluoro-4-methyl-5-nitro-
Synonyms:4-Chloro-5-fluoro-2-nitrotoluene;1-Chloro-2-fluoro-4-Methyl-5-nitrobenzene[4-Chloro-5-fluoro-2-nitrotoluene];Benzene, 1-chloro-2-fluoro-4-methyl-5-nitro-;1-Chloro-2-fluoro-4-Methyl-5-nitrobenzene;2-Nitro-4-Chloro-5-Fluorotoluene;3-Chloro-4-fluoro-6-methylnitrobenzene
CAS:118664-99-6
MF:C7H5ClFNO2
MW:189.57
EINECS:
Product Categories:
Mol File:118664-99-6.mol
Benzene,  1-chloro-2-fluoro-4-methyl-5-nitro- Structure
Benzene, 1-chloro-2-fluoro-4-methyl-5-nitro- Chemical Properties
Melting point 59-60 °C
Boiling point 248.8±35.0 °C(Predicted)
density 1.417±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
AppearanceOff-white to light yellow Solid
Safety Information
HS Code 2904990090
MSDS Information
Benzene, 1-chloro-2-fluoro-4-methyl-5-nitro- Usage And Synthesis
Synthesis
3-Fluoro-4-chlorotoluene

5527-94-6

Benzene,  1-chloro-2-fluoro-4-methyl-5-nitro-

118664-99-6

(Step 1) Synthesis of 1-chloro-2-fluoro-4-methyl-5-nitrobenzene: 3-fluoro-4-chlorotoluene (1.00 g) was dissolved in trifluoroacetic acid (TFA, 10 mL). The reaction solution was cooled to 0 °C, followed by slow dropwise addition of fuming nitric acid (5.0 mL). The reaction mixture was kept stirred at 0 °C for 30 min. Upon completion of the reaction, the mixture was poured into an aqueous sodium bicarbonate solution for neutralization. The aqueous phase was extracted with chloroform and the organic phases were combined and dried over anhydrous sodium sulfate. The solvent was removed by distillation under reduced pressure to give the crude product. The crude product was purified by silica gel column chromatography (eluent: hexane/ethyl acetate) to give 2-nitro-4-chloro-5-fluorotoluene (1.31 g) as a white solid.

References[1] Patent: US2017/217970, 2017, A1. Location in patent: Paragraph 0417
Benzene, 1-chloro-2-fluoro-4-methyl-5-nitro- Preparation Products And Raw materials
Raw materials3-Fluoro-4-chlorotoluene
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