METHYL 3,5-DIBROMOBENZOATE Chemical Properties

Melting point:

64-65°C

Boiling point:

294.2±20.0 °C(Predicted)

Density 

1.840±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Methanol

form 

powder to crystal

color 

White to Orange to Green

BRN 

2255855

InChI

InChI=1S/C8H6Br2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3

InChIKey

GSMAWUZTAIOCPL-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=CC(Br)=CC(Br)=C1

CAS DataBase Reference

51329-15-8(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39-37

HS Code 

29163990

MSDS

• Language:English Provider:ALFA

METHYL 3,5-DIBROMOBENZOATE Usage And Synthesis

Synthesis

3,5-Dibromobenzoic acid (10.5 g, 37.5 mmol) was dissolved in methanol (212 mL) with acetyl chloride (6.7 mL, 93.8 mmol) in a reactor and the reaction was stirred at room temperature for 17 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. The resulting crude product was purified by column chromatography (silica gel as stationary phase, hexane/ethyl acetate gradient elution) to afford 11.0 g of methyl 3,5-dibromobenzoate in 99% yield.

References

[1] Patent: WO2016/91776, 2016, A1. Location in patent: Page/Page column 161; 162

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