2,6-Dichloro-5-fluoronicotinic acid
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2,6-Dichloro-5-fluoronicotinic acid
structure -
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CAS No:
82671-06-5
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Formula:
C6H2Cl2FNO2
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Chemical Name:
2,6-Dichloro-5-fluoronicotinic acid
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Synonyms:
3-Pyridinecarboxylic acid,2,6-dichloro-5-fluoro-;2,6-Dichloro-5-fluoro-3-pyridinecarboxylic acid;2,6-Dichloro-5-fluoronicotinic acid;2159123-15-4
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CAS No:
2,6-Dichloro-5-fluoronicotinic acid Basic Attributes
209.99
209.99
4311035
1592732-453-0
DTXSID00369962
29333990
Characteristics
50.2
2.4
light yellow to beige fine crystalline powder
1.7±0.1 g/cm3
155-156 °C @ Solvent: Ethanol, Water
245.3ºC at 760 mmHg
156.6±26.5 °C
1.580
Safety Information
IRRITANT
NONH for all modes of transport
1
36/37/38
26-37/39
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|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 48 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,6-Dichloro-5-fluoronicotinic acid Use and Manufacturing
Ethyl 2, 6-dichloro-5-fluoronicotinate (1) (30.0 g) was dissolved in a mixture of 60 mL of trifluoro acetic acid and 60 mL of 7.5 N HCl. The mixture was refluxed with stirring for 26 h. It was cooled and the trifluoroacetic acid was removed under reduced pressure. The solution was mixed with 150 mL water, the resulting precipitate was filtered, washed with hexane and dried to yield 16.5 g of 2, 6-dichloro-5-fluoro nicotinic acid (2). m.p.=152-156° C.
Used as pharmaceutical intermediate
Computed Properties
Molecular Weight:209.99
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:208.9446619
Monoisotopic Mass:208.9446619
Topological Polar Surface Area:50.2
Heavy Atom Count:12
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,6-Dichloro-5-fluoronicotinic acid
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