All Photos(1)
About This Item
Empirical Formula (Hill Notation):
C5BrF4N
CAS Number:
Molecular Weight:
229.96
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
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
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
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
145.4 °F - closed cup
Flash Point(C)
63 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.
Already Own This Product?
Find documentation for the products that you have recently purchased in the Document Library.
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
Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.
Contact Technical Service