2-PHENYL-ISONICOTINIC ACID
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2-PHENYL-ISONICOTINIC ACID
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CAS No:
55240-51-2
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Formula:
C12H9NO2
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Chemical Name:
2-PHENYL-ISONICOTINIC ACID
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Synonyms:
2-PHENYLPYRIDINE-4-CARBOXYLIC ACID;2-PHENYL-ISONICOTINIC ACID;2-Phenyl-4-pyridinecarboxylic acid;2-Phenylpyridine-4-carboxylic acid, 4-Carboxy-2-phenylpyridine
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CAS No:
Safety Information
22
Xi,Xn
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-PHENYL-ISONICOTINIC ACID Use and Manufacturing
2-bromoisonicotinic acid (0.210 g, 1.040 mmol) was dissolved in degassed DME (Volume: 8 ml) under nitrogen. Tetrakis(triphenylphosphine)palladium(0) (0.060 g, 0.052 mmol) was added, the resulting reaction mixture was stirred for 15 min. To a flask containing 237 mg (1.18 mmol) of 2-bromopyridine-4-carboxylic acid, 213 mg ( 1.75 mmol) of phenylboronic acid, and 26 mg (0.12 mmol) of Pd(OAc)2-phenyl-4-methylpyridine (6 g, 35.4 mmol) and SeO
Computed Properties
Molecular Weight:199.20
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:199.063328530
Monoisotopic Mass:199.063328530
Topological Polar Surface Area:50.2
Heavy Atom Count:15
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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