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ChemicalBook--->CAS DataBase List--->28314-82-1

28314-82-1

28314-82-1 Structure

28314-82-1 Structure
IdentificationBack Directory
[Name]

4-bromo-2,5-difluorobenzoic acid
[CAS]

28314-82-1
[Synonyms]

4-bromo-2,5-difluorobenzoic acid
2,5-Difluoro-4-broMobenzoic acid
Benzoic acid, 4-broMo-2,5-difluoro-
4-bromo-2,5-difluorobenzoic acid ISO 9001:2015 REACH
[Molecular Formula]

C7H3BrF2O2
[MDL Number]

MFCD00844105
[MOL File]

28314-82-1.mol
[Molecular Weight]

237
Chemical PropertiesBack Directory
[Boiling point ]

285.0±40.0 °C(Predicted)
[density ]

1.872±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

wooly powder
[pka]

2.70±0.10(Predicted)
[color ]

Creamy peach
[InChI]

InChI=1S/C7H3BrF2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)
[InChIKey]

YWZSTHLOAZTDFJ-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC(F)=C(Br)C=C1F
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
Hazard InformationBack Directory
[Uses]

4-Bromo-2,5-difluorobenzoic acid is a synthetic chemical compound that is widely used in scientific research. It is a versatile compound that can be used in many different laboratory experiments. It is also a fluorinated benzoic acid derivative and can be used as a reagent in a variety of organic and inorganic reactions.
[Synthesis]

Freshly titrated n-butyl lithium (27.0 ml, 1.39 M in hexanes) is added slowly (over about 30 minutes) to a -78°C solution of diethyl ether (90 ml) containing 1,4-dibromo-2,5-difluorobenzene (10.22 g, 0.038 mol). The resulting yellow solution is stirred at -78°C for 2 hours to give a yellow suspension. Several pellets (~10) of dry ice are added to the suspension, which is then allowed to warm slowly to room temperature as it degasses (approximately 40 minutes). The resulting suspension is acidified with a 1 M aqueous solution of hydrochloric acid (500 ml), and the product extracted with diethyl ether (5 x 200 ml). The combined organics are washed with water (4 x 100 ml) and filtered. The ether solution is concentrated to approximately 200 ml under reduced pressure, and the product extracted into a saturated aqueous solution of sodium bicarbonate (3 x 200 ml). The combined aqueous extracts are washed with methylene chloride (3 x 100 ml) and acidified with hydrochloric acid. The product is extracted with diethyl ether (3 x 200 ml), and the combined organic extracts washed with water (2 x 200 ml), dried over magnesium sulfate, and concentrated under reduced pressure to give 4-Bromo-2,5-difluorobenzoic acid as a pale yellow solid.Synthesis of 4-Bromo-2,5-difluorobenzoic acidFigure Synthesis of 4-Bromo-2,5-difluorobenzoic acid
Spectrum DetailBack Directory
[Spectrum Detail]

4-bromo-2,5-difluorobenzoic acid(28314-82-1)FT-IR
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