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)

Flash point:

＞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)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

20/21/22-36/37/38-22

Safety Statements 

26-36/37/39-37

HazardClass 

IRRITANT

HS Code 

29042090

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

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] Patent: US2004/24238, 2004, A1. Location in patent: Page 5
[4] Patent: US2004/24238, 2004, A1. Location in patent: Page 5
[5] Patent: US2004/24238, 2004, A1. Location in patent: Page 5

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