3-FLUOROPYRIDINE-2-CARBOXYLIC ACID
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3-FLUOROPYRIDINE-2-CARBOXYLIC ACID
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CAS No:
152126-31-3
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Formula:
C6H4FNO2
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Chemical Name:
3-FLUOROPYRIDINE-2-CARBOXYLIC ACID
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Synonyms:
3-FLUOROPYRIDINE-2-CARBOXYLIC ACID;3-FLUOROPICOLINIC ACID;3-Fluoropyridine-2-carboxylicacid98%;2-Pyridinecarboxylicacid,3-fluoro-(9CI);3-fluropyridine-2-carboxylic acid;3-FLUOROPICOLINIC ACID / 3-FLUOROPYRIDINE-2-CARBOXYLIC ACID;3-FLUOROPYRIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE;3-Fluoro-2-pyridinecarboxylic acid
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CAS No:
Characteristics
50.2
0.8
1.419±0.06 g/cm3(Predicted)
154°C
265.2±20.0 °C(Predicted)
114.2±21.8 °C
1.542
Room temperature.
0.00465mmHg at 25°C
Safety Information
IRRITANT
Xi,Xn
Irritant
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 (25%): Harmful if swallowed [Warning Acute toxicity, oral]|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 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-FLUOROPYRIDINE-2-CARBOXYLIC ACID Use and Manufacturing
To a solution of 1 , 4-diazabicyclo[2.2.2]octane (1.15 g, 10.3 mmol) in diethylether (50 ml) is added n- butyllithium (2.6M in hexane) (3.95 ml, 10.3 mmol) at -78 °C. The reaction mixture is stirred at -20 °C for 1 h followed by the addition of a solution of 3-fluoro-pyridine (1.00 g, 10.29 mmol) in diethylether (30 ml) at -78 °C. The yellow suspension is stirred at -60 °C for 1 h and then cooled to -78 °C followed by the addition of excess dry ice. The resulting solution allowed to warm to to -10 °C over 20 min. The precipitate is filtered and the residue is washed with ether which yields pure 3-fluoro-pyridine-2-carboxylic acid (1.20 g, 8.51 mmol, 83percent).
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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3-FLUOROPYRIDINE-2-CARBOXYLIC ACID
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