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339784

Sigma-Aldrich

4-Bromo-2,3,5,6-tetrafluoropyridine

98%

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About This Item

Empirical Formula (Hill Notation):
C5BrF4N
CAS Number:
3511-90-8
Molecular Weight:
229.96
MDL number:
MFCD00075169
UNSPSC Code:
12352100
PubChem Substance ID:
24860679

Quality Level

100

assay

98%

refractive index

n20/D 1.464 (lit.)

bp

134-135 °C (lit.)

density

1.92 g/mL at 25 °C (lit.)

SMILES string

Fc1nc(F)c(F)c(Br)c1F

InChI

1S/C5BrF4N/c6-1-2(7)4(9)11-5(10)3(1)8

InChI key

YZCGGIUJABHGRQ-UHFFFAOYSA-N

Related Categories

General description

4-Bromo-2,3,5,6-tetrafluoropyridine is also referred as 4-bromotetrafluoropyridine. Regioselective nucleophilic substitution and palladium catalyzed Suzuki-Miyaura reactions of 4-bromo-2,3,5,6-tetrafluoropyridine has been reported. Quantum mechanical calculations of energies, geometries and vibrational wave numbers of 4-bromo-2,3,5,6-tetrafluoropyridine have been evaluated by density functional theory.

Application

4-Bromo-2,3,5,6-tetrafluoropyridine was used in the preparation of 2,3,5,6-tetrafluoro-pyridylcadmium or 2,3,5,6-tetrafluoropyridylzinc reagent.

accessory

Product No.
Description
Pricing

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

145.4 °F - closed cup

flash_point_c

63 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Preparation and reactions of the 2, 3, 5, 6-tetrafluoropyridylcopper reagent.
Nguyen BV and Burton DJ.
Journal of Fluorine Chemistry, 67(3), 205-206 (1994)
Synthetic utility of 4-bromo-2, 3, 5, 6-tetrafluoropyridine.
Christopher JA, et al.
Journal of Fluorine Chemistry, 129(5), 447-454 (2008)
C Selvarani et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 132, 110-120 (2014-05-27)
Quantum mechanical calculations of energies, geometries and vibrational wave numbers of 3-chloro-2,4,5,6-tetrafluoropyridine and 4-bromo-2,3,5,6-tetrafluoropyridine have been performed by DFT level of theory using B3LYP/6-31+G(d) and B3LYP/6-311++G(d,p) as basis sets. The optimized geometrical parameters obtained by B3LYP method show good agreement

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