4-Bromo-3-nitrobenzotrifluoride Chemical Properties

Boiling point:

90 °C (3 mmHg)

Density 

1.763 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.511(lit.)

Flash point:

>230 °F

storage temp. 

Sealed in dry,Room Temperature

form 

clear liquid

color 

Light yellow to Amber to Dark green

Specific Gravity

1.763

BRN 

2417762

CAS DataBase Reference

349-03-1(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

36/37/38-20/21/22-36/38

Safety Statements 

36/37/39-26-37/39-36/37

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29049090

MSDS

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

4-Bromo-3-nitrobenzotrifluoride Usage And Synthesis

Chemical Properties

clear yellow liquid

Uses

4-Bromo-3-nitrobenzotrifluoride may be used to prepare polysubstituted bisheterocycles with potential chemotherapeutic properties.

General Description

4-Bromo-3-nitrobenzotrifluoride is an organic building block.

Synthesis

Example 10: Synthesis of 4-bromo-3-nitrobenzotrifluoride from 4-chloro-3-nitrobenzotrifluoride (g); [0086] 4-chloro-3-nitrobenzotrifluoride (1 eq.) was synthesized from 4-chloro-3-nitrobenzotrifluoride (1 eq.) with a source of bromide (cuprous bromide, cupric bromide, lithium bromide, or magnesium bromide, 1 eq.) or a mixture of cuprous bromide (1 eq.) with lithium bromide (1 eq.) under the presence of benzyl cyanide, diethylene glycol dimethyl ether ( diethylene glycol dimethyl ether), acetic acid or N-methylpyrrolidone (1 mL/mmol) as solvent, and heated the reaction at 160 °C for 6 h to obtain the target product 4-bromo-3-nitrobenzotrifluoride. Table 11 shows that good selectivity was obtained using different reaction conditions, with the mixture of cuprous bromide and lithium bromide being particularly effective. Comparative experiments showed that the reaction was less effective under solvent-free conditions.

References

[1] Patent: US6635780, 2003, B1. Location in patent: Page/Page column 12
[2] Patent: US6635780, 2003, B1. Location in patent: Page/Page column 10-11
[3] Patent: US6635780, 2003, B1. Location in patent: Page/Page column 10-11
[4] Patent: US6635780, 2003, B1. Location in patent: Page/Page column 10-12
[5] Patent: US6635780, 2003, B1. Location in patent: Page/Page column 10-11

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