6-BROMO-5-METHOXY-2-PYRIDINECARBOXYLIC ACID
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6-BROMO-5-METHOXY-2-PYRIDINECARBOXYLIC ACID
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CAS No:
54232-43-8
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Formula:
C7H6BrNO3
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Chemical Name:
6-BROMO-5-METHOXY-2-PYRIDINECARBOXYLIC ACID
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Synonyms:
6-BROMO-5-METHOXY-2-PYRIDINECARBOXYLIC ACID;6-BROMO-5-METHOXYPICOLINIC ACID;2-Bromo-3-methoxypyridine-6-carboxylic acid;6-bromo-5-methoxypyridine-2-carboxylic acid;6-Bromo-5-methoxy-2-pyridinecarboxylic acid ,97%;6-Bromo-5-Methoxy-2-Pyridinecarboxylic Acid6-Bromo-5-Methoxy-2-Pyridinecarboxylic Acid ,97%
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CAS No:
6-BROMO-5-METHOXY-2-PYRIDINECARBOXYLIC ACID Basic Attributes
232.03
230.953094
DTXSID30428672
2933399090
Safety Information
36/37/38
26-37/39
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
6-BROMO-5-METHOXY-2-PYRIDINECARBOXYLIC ACID Use and Manufacturing
2-Bromo-3-methoxy-6-methylpyridine (XXXXV) 760 mg (3.76 mmol) was dissolved in 15 ml of water, and to the resulting solution was added potassium permanganate (KMnO5-Methoxy-1-oxy-pyridine-2-carboxylic acid (1.2 g, 7 mmol) was added to phosphorus oxybromide (CAN 7789-59-5, 10 g) at 80° C. and stirred for 3 h. The mixture was poured into water (100 mL), extracted with ethyl acetate (3.x.50 mL), dried over anhydrous sodium sulfate, concentrated and purified by column chromatography (silica gel, 60 g, eluting with 10percent methanol in methylene chloride) to give the title compound (1 g, 61percent); MS (EI): m/e=232.0 [M+H]5-Methoxy-l-oxy-pyridine-2-carboxylic acid (1.2 g, 7 mmol) was added to phosphorus oxybromide (CAN 7789-59-5, 10 g) at 80°C and stirred for 3 h. The mixture was poured into water (100 mL), extracted with ethyl acetate (3 x 50 mL), dried over anhydrous sodium sulfate, concentrated and purified by column chromatography (silica gel, 60 g, eluting with 10percent methanol in methylene chloride) to give the title compound (1 g, 61percent); MS (EI): m/e = 232.0 [M+H]
Computed Properties
Molecular Weight:232.03
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:230.95311
Monoisotopic Mass:230.95311
Topological Polar Surface Area:59.4
Heavy Atom Count:12
Complexity:176
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6-BROMO-5-METHOXY-2-PYRIDINECARBOXYLIC ACID
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