5-Bromo-3-fluoropicolinic acid
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5-Bromo-3-fluoropicolinic acid
structure -
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CAS No:
669066-91-5
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Formula:
C6H3BrFNO2
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Chemical Name:
5-Bromo-3-fluoropicolinic acid
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Synonyms:
2-Pyridinecarboxylic acid,5-bromo-3-fluoro-;5-Bromo-3-fluoro-2-pyridinecarboxylic acid;5-Bromo-3-fluoropyridine-2-carboxylic acid;5-Bromo-3-fluoropicolinic acid;1476792-46-7
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CAS No:
Safety Information
IRRITANT
NONH for all modes of transport
3
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Bromo-3-fluoropicolinic acid Use and Manufacturing
A mixture of 5-bromo-3-fluoro-pyridine-2-carbonitrile (21.0 g, 100 mmol) in concentrated HCI (200 ml)was refluxed at 140°C for 4 hours. After cooling to room temperature, the reaction mixture was pouredinto ice-water. The precipitated solid was filtered under vaccum and dried to give the desired compound(18.3 g). 1H NMR (d6-DMSO, 400MHz): 13.76 (s, 1H), 8.64 (s, 1H), 8.33-8.36 (dd, 1H). 19F NMR (d6-DMSO, 300MHz): -113.70 (d, iF).
Computed Properties
Molecular Weight:220.00
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:218.93312
Monoisotopic Mass:218.93312
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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