| Identification | More | [Name]
2-Bromopyridine-4-carboxylic acid | [CAS]
66572-56-3 | [Synonyms]
2-BROMO-4-PYRIDINECARBOXYLIC ACID
2-BROMOISONICOTINIC ACID
2-BROMOPYRIDINE-4-CARBOXYLIC ACID
4-PYRIDINECARBOXYLIC ACID, 2-BROMO-
IFLAB-BB F1926-0035
RARECHEM AL BE 1524
2-bromo-4-picolinic acid
2-BROMO-4-PYRIDINECARBOXYLIC ACID/2-BROMOISONICOTINIC ACID
2-Bromoisonicotinic acid , 2-Bromopyridine-4-carboxylic acid
2-Bromoisonicotinic acid ,98% | [EINECS(EC#)]
626-472-3 | [Molecular Formula]
C6H4BrNO2 | [MDL Number]
MFCD01646069 | [Molecular Weight]
202.01 | [MOL File]
66572-56-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
229-231°C | [Boiling point ]
447.2±30.0 °C(Predicted) | [density ]
1.813±0.06 g/cm3(Predicted) | [storage temp. ]
Keep Cold | [form ]
Crystals or Crystalline Powder | [pka]
2.98±0.10(Predicted) | [color ]
White | [Detection Methods]
HPLC,NMR | [BRN ]
471895 | [InChI]
InChI=1S/C6H4BrNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10) | [InChIKey]
YBTKGKVQEXAYEM-UHFFFAOYSA-N | [SMILES]
C1(Br)=NC=CC(C(O)=O)=C1 | [CAS DataBase Reference]
66572-56-3(CAS DataBase Reference) | [Storage Precautions]
Store under nitrogen |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves . | [WGK Germany ]
3 | [Hazard Note ]
Irritant/Keep Cold | [HazardClass ]
IRRITANT | [HS Code ]
29333990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White to light brown powder | [Uses]
2-Bromoisonicotinic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research. | [Application]
2-Bromoisonicotinic Acid is a useful research chemical for organic synthesis and other chemical processes. | [Health Hazard]
Accidental contact with 2-Bromopyridine-4-carboxylic acid causes skin irritation and serious eye irritation.
| [Synthesis]
General procedure for the synthesis of 2-bromo-4-pyridinecarboxylic acid from 2-bromo-4-methylpyridine: To a stirred solution of 29.0 g (69 mmol) of 2-bromo-4-methylpyridine dissolved in 150 mL of concentrated sulfuric acid was added batchwise 67.9 g (231 mmol) of potassium dichromate. The reaction was cooled using an ice bath to maintain a constant temperature. After addition, the reaction mixture was continued to be stirred at room temperature for 2 hours. Subsequently, the reaction mixture was slowly poured into 2 L of ice water and stirred at room temperature for 1 hour. The resulting crystals were collected by filtration, washed with water until the eluent was colorless, and finally dried under vacuum to give 30.0 g (88% yield) of 2-bromo-4-pyridinecarboxylic acid. | [References]
[1] Patent: US2011/111046, 2011, A1. Location in patent: Page/Page column 17; 18
[2] Patent: WO2011/58473, 2011, A1. Location in patent: Page/Page column 36; 37
[3] Chemical and Pharmaceutical Bulletin, 1990, vol. 38, # 9, p. 2446 - 2458
[4] Patent: US2008/51397, 2008, A1. Location in patent: Page/Page column 9; 24
[5] Polyhedron, 2016, vol. 118, p. 159 - 170 |
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