3-Chloro-5-fluoropyridine
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3-Chloro-5-fluoropyridine
structure -
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CAS No:
514797-99-0
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Formula:
C5H3ClFN
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Chemical Name:
3-Chloro-5-fluoropyridine
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Synonyms:
3-CHLORO-5-FLUOROPYRIDINE;3-Fluoro-5-chloropyridine;Pyridine, 3-chloro-5-fluoro- (9CI)
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CAS No:
Safety Information
4.1
UN1325 - class 4.1 - PG 3 - Flammable solids, organic, n.o.s., HI: all
3
11-22-37/38-41
26-39
T,Xi,Xn,F
P210-P261-P280-P305 + P351 + P338
H228-H302-H315-H318-H335
|Danger|H228 (100%): Flammable solid [Danger Flammable solids]|P210, P240, P241, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P370+P378, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Chloro-5-fluoropyridine Use and Manufacturing
1.2 Preparation of A13 To a solution of LDA in dry THF (12 mmol, 20 mL) at -78 C., a solution of compound 1 (1.3 g, 1.0 mmol) in THF (30 mL) was added dropwise. After addition, the reaction mixture was stirred for 0.5 h at -78 C. Then a solution of I2 (3.8 g, 1.5 mmol) in THF (10 mL) was added dropwise at -78 C. The resulting mixture was stirred at rt for 2 h. Aqueous NH4Cl (50 mL) was added to quench the reaction. The mixture was extracted with EA (300 mL). The combined organic layer was dried and concentrated in vacuo. The residue was purified by column chromatography on silica gel (PE:EA=50:1) to give the product, A13 (2.1 g, yield: 84%). LCMS: 258/260 [M+1].[00329] To a solution of compound 18 (2 g) in THF (20 mL), n-BuLi (7m1) was added slowly at - 78 C, with N2 gas. The reaction was stirred for 60 mm. The resulting reaction mixture was added into a solution of dry-ice. After stirring overnight under N2, The reaction was quenched by iN HC1 until the pH value was adjusted to 1. The mixture was extracted with EA. The organic phase was dried over Na2SO4 and concentrated under reduced pressure to give the product 19.
Computed Properties
Molecular Weight:131.53
XLogP3:2
Hydrogen Bond Acceptor Count:2
Exact Mass:130.9938050
Monoisotopic Mass:130.9938050
Topological Polar Surface Area:12.9
Heavy Atom Count:8
Complexity:78.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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