3-chloro-5-nitro-benzoic acid Chemical Properties

Boiling point:

351.1±27.0 °C(Predicted)

Density 

1.602±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

pka

3.11±0.10(Predicted)

Appearance

Light yellow to brown Solid

InChI

InChI=1S/C7H4ClNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)

InChIKey

YLQAJBKACBLUCM-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC([N+]([O-])=O)=CC(Cl)=C1

Safety Information

HS Code 

2916399090

3-chloro-5-nitro-benzoic acid Usage And Synthesis

Uses

3-Chloro-5-nitrobenzoic acid

Synthesis

Concentrated sulfuric acid (12 mL) was slowly added to concentrated nitric acid (1.6 mL) under cooling conditions in an ice bath and the reaction mixture was kept stirring for 5 min at 0 °C. Subsequently, 3-chlorobenzoic acid (3 g) was added in batches over 5 min, and the temperature of the reaction system was gradually brought to room temperature with continuous stirring for 1 h. The reaction was carried out in an ice bath under cooling conditions. Upon completion of the reaction, the reaction solution was slowly added dropwise to ice-cooled water, and the precipitated solid product was collected by filtration and washed thoroughly with cold water to finally obtain a white solid 3-chloro-5-nitrobenzoic acid (Compound 0004-1, 2.65 g).

References

[1] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 16, p. 4557 - 4561
[2] Patent: JP6052673, 2016, B2. Location in patent: Paragraph 0081

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