ChemicalBook Product Catalog Organic Chemistry Organic fluorine compound Fluoronitrobenzene series 4-Chloro-2-fluoronitrobenzene

4-Chloro-2-fluoronitrobenzene

Product Name4-Chloro-2-fluoronitrobenzene
CAS700-37-8
MFC6H3ClFNO2
MW175.54
EINECS211-842-5
MOL File700-37-8.mol

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
WGK Germany	WGK 3
HazardClass	IRRITANT
HS Code	29042090
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral

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

611-06-3

446-35-5

700-37-8

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+

4-Chloro-2-fluoronitrobenzene

Chemical Properties

Safety Information

Usage And Synthesis

Preparation Products And Raw materials

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