2-Furancarboxylic acid, 5-[4-(trifluoromethyl)phenyl]-


Chemical Name: 2-Furancarboxylic acid, 5-[4-(trifluoromethyl)phenyl]-
CAS Number: 55377-78-1
Product Number: AG003MBD(AGN-PC-0KL1UP)
Synonyms:
MDL No: MFCD06739573
Molecular Formula: C12H7F3O3
Molecular Weight: 256.1774

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
256.18g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
256.035g/mol
Monoisotopic Mass:
256.035g/mol
Topological Polar Surface Area:
50.4A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
308
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:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



5-[4-(Trifluoromethyl)phenyl]furan-2-carboxylic Acid is a versatile compound widely utilized in chemical synthesis for its unique properties and applications. In organic chemistry, it is commonly used as a building block in the synthesis of various pharmaceuticals, agrochemicals, and functional materials. Its trifluoromethyl and furan moieties play key roles in enhancing the biological activity and chemical reactivity of the final products. This compound serves as a valuable tool for researchers and chemists seeking to develop complex molecules with specific functions and properties. Its incorporation in synthetic routes enables the creation of diverse structures with potential applications in drug discovery, materials science, and other areas of chemical research.