4-bromo-3-bromomethyl-benzoic acid methyl ester Chemical Properties

Boiling point:

356.9±32.0 °C(Predicted)

Density 

1.780±0.06 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

form 

White flakes

InChI

InChI=1S/C9H8Br2O2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,5H2,1H3

InChIKey

GRJDNFSKEWOMIM-UHFFFAOYSA-N

SMILES

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

Safety Information

HS Code 

2916399090

4-bromo-3-bromomethyl-benzoic acid methyl ester Usage And Synthesis

Synthesis

In a 6-liter reactor equipped with a condenser, a central mechanical stirrer, and a thermometer, introduce 575 g (2.5 mol) of methyl 4-bromo-3-methylbenzoate, 3 liters of methylene chloride, 494 g (2.75 mol) of N-bromosuccinimide and 17 g of benzoyl peroxide (0.05 mol; 70percent in water). Heat the mixture at reflux under irradiation with a 1000-watt lamp for 10 h. Wash the mixture twice with 1 liter of water, then with 1 liter of saturated sodium chloride solution. Evaporate the methylene chloride. Recrystallize the crude product obtained from heptane. This gives 596 g of 4-bromo-3-bromomethyl-benzoic acid methyl ester as off-white crystals.

4-bromo-3-bromomethyl-benzoic acid methyl ester(142031-67-2)Related Product Information

• 3-(BROMOMETHYL)BENZOIC ACID