3-BROMO-2-NITROTOLUENE Chemical Properties

Melting point:

25-29 °C (lit.)

Boiling point:

267℃

Density 

1.612 g/mL at 25 °C (lit.)

refractive index 

1.6120 (estimate)

Flash point:

>230 °F

storage temp. 

Sealed in dry,Room Temperature

Specific Gravity

1.612

Appearance

Colorless to off-white <26.8°C Solid,>29°C Liquid

CAS DataBase Reference

52414-97-8(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn

Risk Statements 

36/37/38-20/21/22

Safety Statements 

36/37/39-26-22

WGK Germany 

3

HS Code 

29049090

MSDS

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

3-BROMO-2-NITROTOLUENE Usage And Synthesis

Chemical Properties

yellow crystalline low melting mass

Synthesis

Example 1 7-Bromo-2H-indazole Step 1 3-Bromo-2-nitrotoluene (Scheme 1; IC) - Copper (II) bromide (3.52 g, 15.7 mmol) was dissolved in 20 mL of anhydrous acetonitrile, under nitrogen protection, and heated to 65°C. Subsequently, tert-butyl nitrite (2.35 mL, 2.03 g, 19.7 mmol) was added all at once. 3-Methyl-2-nitroaniline (LB; 2.00 g, 13.1 mmol; J. Org. Chem. 1976, 41, 3357) was dissolved in 15 mL of acetonitrile and slowly added dropwise to the above solution, maintaining gentle reflux. After dropwise addition, the reaction was continued under mild reflux conditions for 15 min. After the reaction mixture was cooled to room temperature, it was separated by extraction with 6N hydrochloric acid solution (150 mL) and ether (150 mL). The ether phase was collected, washed with saturated brine and dried over anhydrous magnesium sulfate. The solvent was removed by concentration under reduced pressure to give 2.76 g of crude product. Purification by silica gel column chromatography with 10% acetone/hexane as eluent gave 1.62 g (57% yield) of the target product 1c as a light yellow-green liquid.

References

[1] Patent: WO2005/16892, 2005, A1. Location in patent: Page/Page column 68

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