| Identification | More | [Name]
5-Bromo-6-chloronicotinic acid | [CAS]
29241-62-1 | [Synonyms]
5-BROMO-6-CHLORONICOTINIC ACID
5-BROMO-6-CHLOROPYRIDINE-3-CARBOXYLIC ACID
5-Bromo-6-chloronicotinic acid 97%
5-Bromo-6-chloronicotinic acid ,97% | [Molecular Formula]
C6H3BrClNO2 | [MDL Number]
MFCD01927098 | [Molecular Weight]
236.45 | [MOL File]
29241-62-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
166-168°C | [Boiling point ]
370.0±42.0 °C(Predicted) | [density ]
1.917±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
2.85±0.10(Predicted) | [color ]
White to Light yellow | [Detection Methods]
HPLC | [InChI]
InChI=1S/C6H3BrClNO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11) | [InChIKey]
DXEUARPQHJXMII-UHFFFAOYSA-N | [SMILES]
C1=NC(Cl)=C(Br)C=C1C(O)=O | [CAS DataBase Reference]
29241-62-1(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Uses]
5-Bromo-6-chloronicotinic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research. | [Synthesis]
Synthesis of 5-bromo-6-chloronicotinic acid: 5-bromo-6-hydroxynicotinic acid (10 g, 45 mmol), tetramethylammonium chloride (5.4 g, 49 mmol), and phosphorus triclosan (20 mL) were sequentially added to a reaction flask, and the mixture was heated to reflux and held for 3 hours. Upon completion of the reaction, the reaction mixture was slowly poured into ice water and stirred continuously for 2 hours. The precipitated solid was collected by filtration, dissolved in ethyl acetate (300 mL) and dried by adding anhydrous sodium sulfate. The desiccant was removed by filtration and the filtrate was concentrated under reduced pressure to give 10.5 g (97% yield) of the target product 5-bromo-6-chloronicotinic acid as a pink solid. The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 8.53 (d, J = 2.02 Hz, 1H), 8.85 (d, J = 2.02 Hz, 1H), 13.57 (s, 1H). | [References]
[1] Patent: WO2007/70818, 2007, A1. Location in patent: Page/Page column 103
[2] Journal of Medicinal Chemistry, 2005, vol. 48, # 15, p. 4892 - 4909
[3] Journal of Medicinal Chemistry, 2013, vol. 56, # 24, p. 9874 - 9896 |
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