2-Cyano-5-fluorobenzaldehyde
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2-Cyano-5-fluorobenzaldehyde
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CAS No:
894779-76-1
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Formula:
C8H4FNO
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Chemical Name:
2-Cyano-5-fluorobenzaldehyde
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Synonyms:
2-Cyano-5-fluorobenzaldehyde;4-Fluoro-2-forMylbenzonitrile
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CAS No:
2-Cyano-5-fluorobenzaldehyde Use and Manufacturing
To a solution of 2-bromo-4-fluorobenzonitrile (5.0 g, 25.0 mmol) in anhydrous THF (20 mL) is added PrMgCl 2.0M in THF (15.0 mL, 30.0 mmol) at -30°C. The solution is stirred at -30 °C for 3 hours and DMF (5.80 mL, 75.0 mmol) is added. The reaction mixture is allowed to warm to room temperature and is stirred for 1 hour. The solution is cooled to -10°C, 2M hydrochloric acid (37 mL) is added and the solution is stirred for 20 minutes. The solution is concentrated in vacuo to -1/3 original volume and extracted into EtOAc (3x). The combined organics are then dried (Na
Computed Properties
Molecular Weight:149.12
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:149.027691913
Monoisotopic Mass:149.027691913
Topological Polar Surface Area:40.9
Heavy Atom Count:11
Complexity:196
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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