4-bromo-3-bromomethyl-benzoic acid methyl ester Property

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

HS Code 

2916399090

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

4-bromo-3-bromomethyl-benzoic acid methyl ester Chemical Properties,Usage,Production

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.