5-Nitroisophthalic acid Chemical Properties

Melting point:

259-261 °C(lit.)

Boiling point:

350.79°C (rough estimate)

Density 

1.6342 (rough estimate)

vapor pressure 

0Pa at 25℃

refractive index 

1.5282 (estimate)

Flash point:

120°C

storage temp. 

Sealed in dry,Room Temperature

solubility 

Acetonitrile (Slightly, Heated), DMSO (Slightly), Methanol (Slightly)

form 

Solid

pka

2.81±0.10(Predicted)

color 

White to Off-White

Water Solubility 

Soluble in water.1.5 g/L at 20°C

BRN 

1976587

LogP

1.1 at 25℃

CAS DataBase Reference

618-88-2(CAS DataBase Reference)

EPA Substance Registry System

5-Nitroisophthalic acid (618-88-2)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-40

Safety Statements 

26-36-22

RIDADR 

2811

WGK Germany 

3

TSCA 

Yes

HS Code 

29173990

MSDS

• Language:English Provider:5-Nitroisophthalic acid
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
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5-Nitroisophthalic acid Usage And Synthesis

Uses

5-Nitrobenzene-1,3-Dicarboxylic Acid is used in the synthesis of Glycopyrrolate, a novel pharmaceutical compound based on PDE IV inhibitors; used in the treatment of respiratory complaints. Also used in the synthesis of coordination polymers.

Chemical Properties

LIGHT CREAM CRYSTALLINE POWDER

Uses

pharmaceutical intermediate

Uses

5-Nitroisophthalic acid is used as an intermediate of medicine compound and as a disperser in dyes. It is used as an intermediate in organic synthesis,agrochemical,pharmaceutical and dyestuffs etc,.

Flammability and Explosibility

Non flammable

Synthesis

The general procedure for the synthesis of 5-nitroisophthalic acid from isophthalic acid is as follows: concentrated sulfuric acid (120 mL, 2.21 mol) was added to a three-neck flask, followed by isophthalic acid (80 g, 0.48 mol). The mixture was heated to 75 °C and maintained at this temperature for 0.5 h under stirring conditions. 60% nitric acid (73.5 g, 0.70 mol) was slowly added dropwise, with the rate of acceleration of the drop being controlled to ensure completion of the drop within 2 to 2.5 hours. After the dropwise addition was completed, the reaction mixture was continued to be stirred at 75 °C for 2 hours. Subsequently, the temperature was raised to 90 °C and the reaction continued for 1 hour. Upon completion of the reaction, the mixture was cooled to below 50 °C and 120 mL of water was slowly added dropwise. The mixture was further cooled to room temperature, filtered, and the spent acid was removed by filtration. The filter cake was washed three times with pure water to remove the wash water. Pure water (120 mL) was added to the filter cake, stirred and heated until dissolved, stirring the mixture thoroughly. Hot filtration was carried out, cooled and crystallized, and the filter cake was dried to give a white crystalline solid 5-nitroisophthalic acid (89.6 g) in 88.3% yield.

References

[1] Patent: CN107721859, 2018, A. Location in patent: Paragraph 0025; 0027; 0029; 0031; 0033; 0034; 0035; 0036
[2] RSC Advances, 2016, vol. 6, # 10, p. 8495 - 8502
[3] Journal fuer Praktische Chemie (Leipzig), 1986, vol. 328, # 4, p. 497 - 514
[4] Langmuir, 2016, vol. 32, # 36, p. 9301 - 9312
[5] Acta Crystallographica Section C: Crystal Structure Communications, 1999, vol. 55, # 11, p. 1845 - 1847

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