3-Bromo-5-fluoro-4-pyridinecarboxylic acid
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3-Bromo-5-fluoro-4-pyridinecarboxylic acid
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CAS No:
955372-86-8
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Formula:
C6H3BrFNO2
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Chemical Name:
3-Bromo-5-fluoro-4-pyridinecarboxylic acid
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Synonyms:
3-Bromo-5-fluoroisonicotinic acid;3-bromo-5-fluoropyridine-4-carboxylic acid;3-BROMO-5-FLUORO-4-PYRIDINECARBOXYLIC ACID;3-Bromo-5-fluoro-pyridine-4-carboxylic acid;SCHEMBL5488826;CTK8B7635;KS-00000IHI;DTXSID20679151;3-Bromo-5-fluoro-isonicotinic acid;ANW-58000
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CAS No:
Safety Information
|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.
3-Bromo-5-fluoro-4-pyridinecarboxylic acid Use and Manufacturing
Intermediate 6: S-Bromo-S-fluoro-isonicotinic acid; n-Butyllithium (12.5 mL, 2.5 M in THF, 31.3 mmol) was added slowly to a solution of diisopropylamine (4.4 mL, 31.3 mmol) in THF (200 mL) at 0 n-BuLi (250 mL, 0.62 mol, 2.5 equiv) was added dropwise into a solution of bis(propan-2-yl)amine (76 g, 0.75 mmol, 3 equiv) and tetrahydrofuran (1 L) at 0 °C under nitrogen. The mixture was stirred for 30 min at 0 °C. To this was added 3-bromo-5- fluoropyridine (44 g, 0.25 mol, 1 equiv) dropwise with stirring at -70 °C. The resulting solution was stirred for lh at -70 °C. The reaction mixture was then poured into a mixture of dry ice in 500 mL of THF. The resulting mixture was stirred for 30 min and then concentrated under vacuum. The residue was dissolved in water. The pH value of the solution was adjusted to 3 with hydrogen chloride (1 mol/L). The mixture was extracted with ethyl acetate, dried over anhydrous sodium sulfate and concentrated under vacuum to give the product (40 g, 72percent) as yellow solid.Step 2: Preparation of methyl 3-bromo-5-fluoroisonicotinate TMSCHN2 (180 mL, 360 mmol, 2 equiv) was added into a solution of Step 1: Preparation of
Computed Properties
Molecular Weight:220.00
XLogP3:1.2
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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Business licensed Certified factoryManufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acidInquiryCAS No.: 955372-86-8Grade: Industrial GradeContent: 95%
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3-Bromo-5-fluoro-4-pyridinecarboxylic acid
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