Benzenamine, 4,4'-[1,4-phenylenebis(oxy)]bis[3-(trifluoromethyl)-


Chemical Name: Benzenamine, 4,4'-[1,4-phenylenebis(oxy)]bis[3-(trifluoromethyl)-
CAS Number: 94525-05-0
Product Number: AG005WKJ(AGN-PC-02KCGL)
Synonyms:
MDL No:
Molecular Formula: C20H14F6N2O2
Molecular Weight: 428.3278

Identification/Properties


Properties
MP:
132.0 to 136.0℃
BP:
465.748°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
428.334g/mol
XLogP3:
5.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
4
Exact Mass:
428.096g/mol
Monoisotopic Mass:
428.096g/mol
Topological Polar Surface Area:
70.5A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
502
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:
H302+H312+H332
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The compound 4,4'-(1,4-Phenylenebis(oxy))bis(3-(trifluoromethyl)aniline) plays a crucial role in chemical synthesis as a versatile building block. Its unique structure contains two trifluoromethyl groups attached to an aniline core, connected by a phenylenebis(oxy) linker. This molecule is commonly utilized in organic synthesis for the development of novel pharmaceuticals, agrochemicals, and materials.In chemical synthesis, 4,4'-(1,4-Phenylenebis(oxy))bis(3-(trifluoromethyl)aniline) can serve as a key intermediate for creating complex organic molecules through various reactions. Its trifluoromethyl groups are particularly valuable for introducing fluorine-containing functionalities into target compounds, enhancing their biological activity or chemical properties. The presence of the aniline moiety also enables selective functionalization, allowing for tailored modifications to achieve desired molecular structures.Moreover, the phenylenebis(oxy) linkage provides flexibility and spatial control in molecular design, facilitating the construction of diverse molecular architectures. By incorporating this compound into synthetic pathways, chemists can access a wide range of structurally intricate and functionally diverse molecules for applications in drug discovery, materials science, and beyond.Overall, 4,4'-(1,4-Phenylenebis(oxy))bis(3-(trifluoromethyl)aniline) is a valuable tool in chemical synthesis, offering synthetic chemists the opportunity to explore new avenues in molecular design and create innovative compounds with tailored properties and functionalities.