CAS No.1513-65-1,2,6-Difluoropyridine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1513-65-1
Name:	2,6-Difluoropyridine
Article Data:	21

Formula:	C₅H₃F₂N
Molecular Weight:	115.082
Synonyms:	Pyridine, 2,6-difluoro-;
EINECS:	216-152-8
Density:	1.263 g/cm³
Boiling Point:	134.3 °C at 760 mmHg
Flash Point:	33.9 °C
Appearance:	Colorless to light yellow liquid
Hazard Symbols:	Xi,F,T
Risk Codes:	10-36/37/38
Safety:	16-26-36/37/39-37/39
Transport Information:	UN 1993 3/PG 3
PSA:	12.89000
LogP:	1.35980

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

Conditions	Yield
In dimethyl sulfoxide	A 96.3% B n/a

: 2402-78-0
2,6-dichloropyridine

: 1513-65-1
2,6-difluoro pyridine

Conditions

Conditions	Yield
With HF; KF	94.7%
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

Conditions	Yield
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

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

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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, NaNO₂and 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