2-Bromo-5-chloro-3-pyridinecarboxylic acid
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2-Bromo-5-chloro-3-pyridinecarboxylic acid
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CAS No:
65550-79-0
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Formula:
C6H3BrClNO2
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Chemical Name:
2-Bromo-5-chloro-3-pyridinecarboxylic acid
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Synonyms:
3-Pyridinecarboxylic acid,2-bromo-5-chloro-;2-Bromo-5-chloro-3-pyridinecarboxylic acid;2-Bromo-5-chloronicotinic acid
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CAS No:
Safety Information
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-Bromo-5-chloro-3-pyridinecarboxylic acid Use and Manufacturing
A mixture of A-7.1 (9.50 g, 40.2 mmol), A-6.8 (3.33 g, 48.21 mmol), Cul (0.58 g, 4.02 mmol) andCsCO3 (14.26 g, 44.20 mmol) in Dioxane (200 mL) and water (10 mL) is heated to 10000 for 12h. The mixture is acidified with HCI (0.5 M aq. solution) to pH=2. The mixture is extracted with EA, the organic phase is washed with brine, dried and concentrated to give the crude product 5.0 g of A-7. ESI-MS: 225 [M+H] TLC (Rf): 0.1(silica gel; DCM/MeOH 10/1)
Computed Properties
Molecular Weight:236.45
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:234.90357
Monoisotopic Mass:234.90357
Topological Polar Surface Area:50.2
Heavy Atom Count:11
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Bromo-5-chloro-3-pyridinecarboxylic acid
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