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142031-67-2

142031-67-2 Structure

142031-67-2 Structure
IdentificationBack Directory
[Name]

4-BROMO-3-BROMOMETHYL-BENZOIC ACID METHYL ESTER
[CAS]

142031-67-2
[Synonyms]

Methyl 4-broMo-3-(broMoMethyl)benzoate
Methyl 3-(bromomethyl)-3-bromophenylacetate
4-BROMO-3-BROMOMETHYL-BENZOIC ACID METHYL ESTER
Benzoic acid, 4-bromo-3-(bromomethyl)-, methyl ester
[Molecular Formula]

C9H8Br2O2
[MDL Number]

MFCD11858300
[MOL File]

142031-67-2.mol
[Molecular Weight]

307.97
Chemical PropertiesBack Directory
[Boiling point ]

356.9±32.0 °C(Predicted)
[density ]

1.780±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,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 DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P260-P280-P301+P310
[HS Code ]

2916399090
Spectrum DetailBack Directory
[Spectrum Detail]

4-BROMO-3-BROMOMETHYL-BENZOIC ACID METHYL ESTER(142031-67-2)FT-IR
Hazard InformationBack Directory
[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.
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