5-Bromo-2-nitrobenzotrifluoride Chemical Properties

Melting point:

33-35 °C (lit.)

Boiling point:

95-100 °C/5 mmHg (lit.)

Density 

1,799 g/cm³

refractive index 

1.522-1.524

Flash point:

>230 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Methanol

form 

Liquid

color 

Clear yellow

BRN 

2650701

CAS DataBase Reference

344-38-7(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

36/37/38-20/21/22

Safety Statements 

36/37/39-26-37/39-24/25

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29049090

MSDS

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

5-Bromo-2-nitrobenzotrifluoride Usage And Synthesis

Chemical Properties

clear yellow liquid

Synthesis

GENERAL PROCEDURE: To a 25 mL round-bottomed flask fitted with a Dimroth condenser (cooled to 10°C) was added 4-nitro-3-(trifluoromethyl)benzoic acid (1.8 mmol), chloroisocyanurate, brominating agent and solvent (8 mL). The mixture was stirred and heated in an oil bath under fluorescent room light (FL) illumination. Upon completion of the reaction, the cooled reaction mixture was filtered through a short silica gel pad, washed with 1 M Na2SO3 aqueous solution, dried over anhydrous Na2SO4, filtered and concentrated in vacuum to give 5-bromo-2-nitrobenzotrifluoride. The resulting product contained 1-5% of the corresponding chlorinated nitro compounds as by-products. The experimental results are detailed in Table 2. Table 2. Results of bromocarboxylation reaction of nitroaromatic carboxylic acids.

References

[1] Patent: WO2017/60906, 2017, A1. Location in patent: Paragraph 00122

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