2-Nitro-4-trifluoromethylbenzoic acid Chemical Properties

Melting point:

134-138 °C(lit.)

Boiling point:

306.6±42.0 °C(Predicted)

Density 

1.596±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

solubility 

DMSO, Methanol

pka

1.70±0.25(Predicted)

form 

Crystalline Powder

color 

Pale yellow

BRN 

1985588

CAS DataBase Reference

320-94-5(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-37/39

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29163990

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

2-Nitro-4-trifluoromethylbenzoic acid Usage And Synthesis

Chemical Properties

Off-White to Pale Yellow Solid

Uses

2-Nitro-4-(trifluoromethyl)benzoic Acid (cas# 320-94-5) is a compound useful in organic synthesis.

Synthesis

Example 2 a) Synthesis of 2-nitro-4-trifluoromethylbenzoic acid: 11.97 g (63 mmol) of 4-trifluoromethylbenzoic acid was slowly added in batches to 48 mL of concentrated nitric acid (100%) at room temperature. Subsequently, the reaction mixture was heated to reflux for 1 h. After completion of the reaction, it was cooled to room temperature and slowly poured into about 600 g of ice. After stirring the mixture for 1 hour, the precipitate was collected by filtration and washed with 1 L of water. The filtrate was extracted with 300 mL of dichloromethane (CH2Cl2), the organic phase was combined with the precipitate and dried over anhydrous sodium sulfate (Na2SO4). The solvent was removed by distillation under reduced pressure and the residue was recrystallized by dissolving in 1 L of diisopropyl ether (DIP) and adding 2 L of heptane (HEP) at 68 °C, followed by slow cooling of the solution to room temperature. The crystalline product was washed with 1 L of heptane and dried under reduced pressure to give 7.1 g (48% yield) of 2-nitro-4-trifluoromethylbenzoic acid with a melting point of 136 °C - 138 °C.

References

[1] Patent: US2005/124681, 2005, A1. Location in patent: Page/Page column 16

2-Nitro-4-trifluoromethylbenzoic acid(320-94-5)Related Product Information

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• 3-(Trifluoromethyl)benzoic acid
• 3-Nitrobenzoic acid
• 2-Nitrobenzoic acid
• 4-(Trifluoromethyl)benzoic acid
• 4-Nitrobenzoic acid
• NITROGEN DIOXIDE
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• 2-Amino-4-methylbenzoic acid
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• 3-Aminobenzotrifluoride
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• 2,5-Dimethylnitrobenzene
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