6-Bromo-5-methoxypicolinic acid
- CAS NO.:54232-43-8
- Empirical Formula: C7H6BrNO3
- Molecular Weight: 232.03
- MDL number: MFCD06655957
- EINECS: 200-589-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-01-16 11:33:49
What is 6-Bromo-5-methoxypicolinic acid?
Chemical properties
White solid
Synthesis
2-Bromo-3-methoxy-6-methylpyridine 760 mg (3.76 mmol) was dissolved in 15 ml of water, and to the resulting solution was added potassium permanganate (KMnO4) (1.49 g, 9.40mmol) and the mixture was heated at 80 °C for 3 hrs. After TLC was conducted, pH was adjusted to 4 with 10 percent hydrochloric acid (HCl) and filtration was conducted with celite. The filtrate was extracted with 50 ml of ethyl acetate (EA). The organic layer was treated with magnesium sulfate (MgSO4) and filtered, and the solution was concentrated to give 6-Bromo-5-methoxypicolinic acid as a white solid (665 mg, 2.87 mmol, 75 percent) without purification.
Properties of 6-Bromo-5-methoxypicolinic acid
Boiling point: | 362.8±42.0 °C(Predicted) |
Density | 1.713±0.06 g/cm3(Predicted) |
storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
pka | 3.52±0.10(Predicted) |
InChI | InChI=1S/C7H6BrNO3/c1-12-5-3-2-4(7(10)11)9-6(5)8/h2-3H,1H3,(H,10,11) |
Safety information for 6-Bromo-5-methoxypicolinic acid
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 6-Bromo-5-methoxypicolinic acid
InChIKey | WOXIJGVDMQJTAC-UHFFFAOYSA-N |
SMILES | C1(C(O)=O)=NC(Br)=C(OC)C=C1 |
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