2-Fluoroisonicotinic acid
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2-Fluoroisonicotinic acid
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CAS No:
402-65-3
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Formula:
C6H4FNO2
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Chemical Name:
2-Fluoroisonicotinic acid
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Synonyms:
4-Pyridinecarboxylic acid,2-fluoro-;Isonicotinic acid,2-fluoro-;2-Fluoro-4-pyridinecarboxylic acid;2-Fluoroisonicotinic acid;2-Fluoropyridine-4-carboxylic acid;NSC 402973
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CAS No:
Characteristics
50.2
0.8
Powder
1.4±0.1 g/cm3
195-197 °C
396.6°C at 760 mmHg
193.6±22.3 °C
1.542
0.00301mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
22-24/25
Xi
Irritant
P305 + P351 + P338
H319
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory.
2-Fluoroisonicotinic acid Use and Manufacturing
a General procedure: To a solution of compound 9 (1.24 g, 4.0 mmol, 1.0 equiv) in dry CH2Cl2 (30 mL) was added thecorresponding carboxylic acid (1.83 g, 8.0 mmol, 2.0 equiv) and DMAP (50 mg, 0.4 mmol, 0.1 equiv). To theresulting mixture was added a solution of DCC (1.65 g, 8.0 mmol, 2 equiv) in CH2Cl2 (5 mL). After stirringovernight at room temperature, the reaction mixture was filtered and concentrated. The residue was purifiedby flash column chromatography on silica gel to give the propargyl sulfonate.To a suspension of 6-(3-methylimidazol-4-yl)isoquinolin-3-amine (LXXII) (500 mg, 2.23 mmol), To a solution of
Computed Properties
Molecular Weight:141.10
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:141.02260653
Monoisotopic Mass:141.02260653
Topological Polar Surface Area:50.2
Heavy Atom Count:10
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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