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1513-65-1

1513-65-1 Structure

1513-65-1 Structure
IdentificationMore
[Name]

2,6-Difluoropyridine
[CAS]

1513-65-1
[Synonyms]

2,6-DIFLUOROPYRIDINE
Pyridine, 2,6-difluoro-
2,6-Difluoropyridine, 95+%
2,6-Difluoropyridine 99%
2,6-Difluoropyridine99%
2,6-DIFLUOROPYRIDINE, 98+%
2,6-Difuloropyridine
[EINECS(EC#)]

216-152-8
[Molecular Formula]

C5H3F2N
[MDL Number]

MFCD00006227
[Molecular Weight]

115.08
[MOL File]

1513-65-1.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless to light yellow liquid
[Boiling point ]

124.5 °C/743 mmHg (lit.)
[density ]

1.268 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.437(lit.)
[Fp ]

93 °F
[storage temp. ]

Flammables area
[solubility ]

Not miscible or difficult to mix.
[form ]

Liquid
[pka]

-6.09±0.10(Predicted)
[color ]

Clear purple-red
[Specific Gravity]

1.268
[Detection Methods]

GC,NMR
[BRN ]

1422549
[Dielectric constant]

107.8
[InChI]

1S/C5H3F2N/c6-4-2-1-3-5(7)8-4/h1-3H
[InChIKey]

MBTGBRYMJKYYOE-UHFFFAOYSA-N
[SMILES]

Fc1cccc(F)n1
[CAS DataBase Reference]

1513-65-1(CAS DataBase Reference)
[NIST Chemistry Reference]

2,6-Difluoropyridine(1513-65-1)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H315-H319-H335
[Precautionary statements ]

P210-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,T,F
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[F ]

10
[Hazard Note ]

Toxic
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29333999
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Fluoropyridine-->2,6-Dichloropyridine-->Pyridine-->Tetramethylammonium fluoride-->N,N-Dimethylformamide
[Preparation Products]

6-Fluoro-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile-->6-Fluoro-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid-->2-Amino-6-fluoropyridine-->N-(6-Fluoro-3-formylpyridin-2-yl)pivalamide-->2,6-Difluoropyridine-3-boronic acid-->1-(2,6-Difluoropyridin-3-yl)propan-1-one-->2,6-Dichloropyridine-->2,6-Difluoro-3-nitropyridine-->3-Bromo-2,6-difluoropyridine-->2-Chloropyridine-->Acetamide, N-(6-fluoro-2-pyridinyl)- (9CI)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,6-Difluoropyridine(1513-65-1).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless to light yellow liquid
[Uses]

2,6-Difluoropyridine has been used in the preparation of poly(pyridine ether)s via polycondensation with silylated 1,1,1-tris(4-hydroxyphenyl)ethane.
[General Description]

Lithium diisopropylamide (LDA)-mediated ortholithiations of 2,6-difluoropyridine in tetrahydrofuran at -78°C has been studied using a combination of IR and NMR spectroscopic and computational methods. Polycondensation of bistrimethylsilyl derivatives of various diphenols with 2,6-difluoropyridine in N-methylpyrrolidone in the presence of K2CO3 has been investigated.
[Synthesis]

2,6-Dichloropyridine

2402-78-0

2,6-Difluoropyridine

1513-65-1

General procedure for the synthesis of 2,6-difluoropyridine from 2,6-dichloropyridine: In a desiccator, accurately weigh anhydrous NMe4F (18.6 mg, 0.2 mmol, 2 eq.) and 2,6-dichloropyridine (0.1 mmol, 1 eq.) in a 4 mL vial fitted with a microstirring bar. DMF (0.5 mL) was added, the vial was removed from the desiccator, and the reaction was stirred at room temperature for 24 hours. Upon completion of the reaction, the reaction mixture was cooled to room temperature and the internal standard (1,3,5-trifluorobenzene, 100 μL 0.5 M toluene solution) was added. Aliquots were taken for 59F NMR spectroscopy and GC-MS analysis.

[References]

[1] Patent: US4071521, 1978, A
[2] Angewandte Chemie - International Edition, 2006, vol. 45, # 17, p. 2720 - 2725
[3] Organic Letters, 2015, vol. 17, # 8, p. 1866 - 1869
[4] Journal of Organic Chemistry, 2015, vol. 80, # 24, p. 12137 - 12145
[5] Patent: WO2017/24167, 2017, A1. Location in patent: Page/Page column 29; 33; 35
Spectrum DetailBack Directory
[Spectrum Detail]

2,6-Difluoropyridine(1513-65-1)MS
2,6-Difluoropyridine(1513-65-1)1HNMR
2,6-Difluoropyridine(1513-65-1)IR1
2,6-Difluoropyridine(1513-65-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,6-Difluoropyridine, 99%(1513-65-1)
[Alfa Aesar]

2,6-Difluoropyridine, 98+%(1513-65-1)
[Sigma Aldrich]

1513-65-1(sigmaaldrich)
[TCI AMERICA]

2,6-Difluoropyridine,>98.0%(GC)(1513-65-1)
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