2-Bromopyridine-4-carboxylic acid
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2-Bromopyridine-4-carboxylic acid
structure -
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CAS No:
66572-56-3
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Formula:
C6H4BrNO2
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Chemical Name:
2-Bromopyridine-4-carboxylic acid
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Synonyms:
IFLAB-BB F1926-0035;2-BROMOPYRIDINE-4-CARBOXYLIC ACID;2-BROMOISONICOTINIC ACID;2-BROMO-4-PYRIDINECARBOXYLIC ACID;4-PYRIDINECARBOXYLIC ACID, 2-BROMO-;RARECHEM AL BE 1524;2-bromo-4-picolinic acid;2-BROMO-4-PYRIDINECARBOXYLIC ACID / 2-BROMOISONICOTINIC ACID
- Categories:
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CAS No:
2-Bromopyridine-4-carboxylic acid Basic Attributes
202.01
200.942535
471895
9462
DTXSID90278711
2933399090
Characteristics
50.2
1.2
White Crystals or Crystalline Powder
1.8±0.1 g/cm3
229-231°C
447.2°C at 760 mmHg
224.3±24.6 °C
1.617
Keep Cold
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36-36/37
Xi
Irritant/Keep Cold
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Bromopyridine-4-carboxylic acid Use and Manufacturing
To a stirred solution of 29.0 g (69 mmol) 2-bromo-4-methylpyridine in 150 mL concentrated sulfuric acid was added portionwise 67.9 g (231 mmol) potassium dichromate.Acid Preparation 13: 2-(1H-pyrazol-3-yl)isonicotinic acid To a stirred solution of 29.0 g (69 mmol) 2-bromo-4-methylpyridine in 150 mL concentrated sulfuric acid was added portionwise 67.9 g (231 mmol) potassium dichromate. The reaction mixture was cooled with an ice bath so that thetemperature stayed between 20-50 °C. After the addition was complete, stirring was continued at room temperature for a further 2 hours. The reaction mixture was then poured slowly onto 2 L ice-water and the mixture stirred for 1 hour at room temperature. The resulting crystals were collected by filtration, washed with water until the washings were colorless, and dried in vacuo to afford 30.0 g (88percent) of 2-bromoisonicotinic acid.To a mixture of 2-bromo-4-picoline (300 g, 1.74 mol) in pyridine/water (1 L each) at 95° C. was added KMnOA mixture of 2-bromo-4-methylpiridine, 1, (9.27 g, 54 mmol) in 490 mL of water, and of KMnOExample 20; Synthesis of 2-bromoisonicotinic acid; [0119] 2-Bromo-4-methylpyridine (10 g, 0.058 moles) and potassium permanganate (18.3 g, 0.115 moles) was combined in water (500 ml). The mixture was refluxed for five hours, filtered through celite and reduced in volume to-400 ml. The dark brown solution was acidified with hydrochloric acid (10percent) to pH-3. The resulting white precipitate was filtered and rinsed with ethyl ether. 2-Bromoisonicotinic acid was isolated in 34 percent yield. 1H NMR (DMSO-d6) 7.8 (1H, d), 7.85 (1H, s), 8.5 (1H, d).To 1.84 g ( 1 1.6 mmol) of KMn0a
Computed Properties
Molecular Weight:202.01
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:200.94254
Monoisotopic Mass:200.94254
Topological Polar Surface Area:50.2
Heavy Atom Count:10
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Bromopyridine-4-carboxylic acid
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