4-bromo-2,5-difluorobenzoic acid
- CAS NO.:28314-82-1
- Empirical Formula: C7H3BrF2O2
- Molecular Weight: 237
- MDL number: MFCD00844105
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-04-24 17:21:45
What is 4-bromo-2,5-difluorobenzoic acid?
The Uses of 4-bromo-2,5-difluorobenzoic acid
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.Figure Synthesis of 4-Bromo-2,5-difluorobenzoic acid
Properties of 4-bromo-2,5-difluorobenzoic acid
Boiling point: | 285.0±40.0 °C(Predicted) |
Density | 1.872±0.06 g/cm3(Predicted) |
storage temp. | Sealed in dry,Room Temperature |
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) |
Safety information for 4-bromo-2,5-difluorobenzoic acid
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
Computed Descriptors for 4-bromo-2,5-difluorobenzoic acid
InChIKey | YWZSTHLOAZTDFJ-UHFFFAOYSA-N |
SMILES | C(O)(=O)C1=CC(F)=C(Br)C=C1F |
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