Phosphonic acid, bis(2,2,2-trifluoroethyl) ester


Chemical Name: Phosphonic acid, bis(2,2,2-trifluoroethyl) ester
CAS Number: 92466-70-1
Product Number: AG003O7O(AGN-PC-0ON7UC)
Synonyms:
MDL No:
Molecular Formula: C4H5F6O3P
Molecular Weight: 246.0448802

Identification/Properties


Properties
BP:
43-44 °C2 mm Hg(lit.)
Storage:
Room Temperature;Light sensitive;Inert atmosphere;
Form:
Liquid
Refractive Index:
n20/D 1.332(lit.)
Computed Properties
Molecular Weight:
245.037g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
4
Exact Mass:
244.98g/mol
Monoisotopic Mass:
244.98g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
14
Formal Charge:
1
Complexity:
178
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H227
Precautionary Statements:
P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Bis(2,2,2-trifluoroethyl) phosphite is a versatile chemical compound widely used in organic synthesis. Due to its unique trifluoroethyl groups, it serves as an important reagent in various reactions, offering distinct properties and benefits. In chemical synthesis, this compound is commonly employed as a phosphitylation agent, facilitating the introduction of phosphorus-containing groups into organic molecules. This specialized function enables the modification and functionalization of complex structures, making it a valuable tool for the creation of novel compounds and materials. Additionally, Bis(2,2,2-trifluoroethyl) phosphite has demonstrated utility in the preparation of phosphorus-containing polymers and coordination complexes, highlighting its significance in the field of advanced materials chemistry. Its specific reactivity and compatibility with a range of substrates make it a valuable asset in the toolbox of synthetic chemists seeking to expand their molecular design capabilities.