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2,6-Difluoropyridine
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Name

2,6-Difluoropyridine

 EINECS 216-152-8
CAS No. 1513-65-1 Density 1.263 g/cm3
PSA 12.89000 LogP 1.35980
Solubility N/A Melting Point N/A
Formula C5H3F2N Boiling Point 134.3 °C at 760 mmHg
Molecular Weight 115.082 Flash Point 33.9 °C
Transport Information UN 1993 3/PG 3 Appearance Colorless to light yellow liquid
Safety 16-26-36/37/39-37/39 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 1513-65-1 (2,6-Difluoropyridine) Hazard Symbols IrritantXi,FlammableF,ToxicT
Synonyms

Pyridine, 2,6-difluoro-;

Article Data 21

2,6-Difluoropyridine Synthetic route

2402-78-0

2,6-dichloropyridine

A

2402-77-9

2,3-dichloro-pyridine

B

1513-65-1

2,6-difluoro pyridine

Conditions
ConditionsYield
In dimethyl sulfoxideA 96.3%
B n/a
2402-78-0

2,6-dichloropyridine

1513-65-1

2,6-difluoro pyridine

Conditions
ConditionsYield
With HF; KF94.7%
With tetrabutyl ammonium fluoride In dimethyl sulfoxide at 20℃; for 1.5h;
With p-methoxybenzoyl fluoride; 2,3-Dihydro-1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene In N,N-dimethyl-formamide at 25℃; for 16h; Inert atmosphere;93 %Spectr.
With tetramethylammonium fluoride In N,N-dimethyl-formamide at 25℃; for 24h; Sealed tube;95 %Spectr.
With tetramethylammonium fluoride In N,N-dimethyl-formamide at 20℃; for 24h;95 %Spectr.
685517-67-3

2,6-difluoro-3-iodopyridine

A

685517-71-9

2,6-difluoro-4-iodopyridine

B

1513-65-1

2,6-difluoro pyridine

Conditions
ConditionsYield
With lithium diisopropyl amide In tetrahydrofuran; hexane at -75℃; for 0.5h;A 81%
B 3%
141-86-6

2,6-Diaminopyridine

1513-65-1

2,6-difluoro pyridine

Conditions
ConditionsYield
With ammonium hydroxide; hydrogen fluoride; sodium nitrite at 70℃; for 14h;62%
With ammonium fluoride; HF; sodium nitrite In sodium hydroxide

2,6-Difluoropyridine Specification

The IUPAC name of 2,6-Difluoropyridine is 2,6-difluoropyridine. With the CAS registry number 1513-65-1, it is also named as Pyridine, 2,6-difluoro-. The product's categories are Fluorin-contained Pyridine Series; Pyridines, Pyrimidines, Purines and Pteredines; Pyridine; Pyridines; Fluoropyridines; Halopyridines; C5; Heterocyclic Building Blocks. Besides, it is colorless to light yellow liquid, which should be stored in tightly sealed container in a cool, dry place. And you should ensure that the workplaces have good ventilated or exhaust devices. In addition, its molecular formula is C5H3F2N and molecular weight is 115.08.

The other characteristics of this product can be summarized as: (1)EINECS: 216-152-8; (2)ACD/LogP: 0.99; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.99; (5)ACD/LogD (pH 7.4): 0.99; (6)ACD/BCF (pH 5.5): 3.31; (7)ACD/BCF (pH 7.4): 3.31; (8)ACD/KOC (pH 5.5): 82.03; (9)ACD/KOC (pH 7.4): 82.03; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 0; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 24.33 cm3; (15)Molar Volume: 91 cm3; (16)Surface Tension: 31.4 dyne/cm; (17)Density: 1.263 g/cm3; (18)Flash Point: 33.9 °C; (19)Enthalpy of Vaporization: 35.64 kJ/mol; (20)Boiling Point: 134.3 °C at 760 mmHg; (21)Vapour Pressure: 10 mmHg at 25 °C.

Preparation of 2,6-Difluoropyridine: this chemical can be prepared by Pyridine-2,6-diamine.



This reaction needs HF, NaNO2 and NH4OH at temperature of 70 °C. The reaction time is 14 hours. The yield is 62 %.

Uses of 2,6-Difluoropyridine: it can be used to produce 2,6-Difluoro-3-nitro-pyridine.



This reaction needs (CH3)4NNO3, (CF3SO2)2O and CH2Cl2 at temperature of 80 °C for 15 min by irradiation. The yield is 100 %.

When you are using this chemical, please be cautious about it as the following: it is flammable. Please keep away from sources of ignition. Moreover, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1cc(nc(c1)F)F
(2)InChI: InChI=1/C5H3F2N/c6-4-2-1-3-5(7)8-4/h1-3H
(3)InChIKey: MBTGBRYMJKYYOE-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C5H3F2N/c6-4-2-1-3-5(7)8-4/h1-3H
(5)Std. InChIKey: MBTGBRYMJKYYOE-UHFFFAOYSA-N

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