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2,6-Difluoropyridine

2,6-Difluoropyridine structure

CAS No:
1513-65-1
Formula:
C5H3F2N
Chemical Name:
2,6-Difluoropyridine
Synonyms:
Pyridine,2,6-difluoro-;2,6-Difluoropyridine;NSC 331814
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Colorless to light yellow liquid

2,6-Difluoropyridine Basic Attributes

Molecular Weight：

115.08

Exact Mass：

115.08

BRN：

1422549

EC Number：

216-152-8

NSC Number：

331814

DSSTox ID：

DTXSID80164755

HScode：

29333999

Characteristics

PSA：

12.9

XLogP3：

1.2

Appearance：

Clear purple-red Liquid

Density：

1.268 g/mL at 25 °C(lit.)

Boiling Point：

125 °C

Flash Point：

93 °F

Refractive Index：

n 20/D 1.437(lit.)

Water Solubility：

Not miscible or difficult to mix.

Storage Conditions：

Flammables area

Vapor Pressure：

0.643mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

10-36/37/38

safety instructions：

16-26-36/37/39-37/39

Marks：

Xi,T,F

Hazard note：

Toxic

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 47 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2,6-difluoropyridine

2,6-Difluoropyridine Use and Manufacturing

General procedure: General Procedure E: General Experimental Details for NMR Yields Reported in Figure 3. In a drybox, anhydrous NMe4F (18.6 mg, 0.2 jumol, 2 equiv) and the appropriate aryi chloride or nitroarene substrate (0.1 nimol, 1 equiv) were weighed into a 4 mL vial equipped with a micro stirbar. DMF (0.5 mL) was added, and the viai was removed from the drybox and stirred at room temperature unless otherwise noted for 24 hours. The reaction was cooled to room temperature and an internal standard (1, 3, 5-trifluorobenzene, 100 iL of a 0.5 M solution in toluene) was added. An aliquot was removed for analysis by Fluorination of PyridineIn this example fluorination of pyridine was carried out using CuF

Computed Properties

Molecular Weight:115.08
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Exact Mass:115.02335542
Monoisotopic Mass:115.02335542
Topological Polar Surface Area:12.9
Heavy Atom Count:8
Complexity:68.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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