Benzeneacetic acid, 2,4,5-trifluoro-


Chemical Name: Benzeneacetic acid, 2,4,5-trifluoro-
CAS Number: 209995-38-0
Product Number: AG002KI3(AGN-PC-0CZ0E7)
Synonyms:
MDL No: MFCD00082479
Molecular Formula: C8H5F3O2
Molecular Weight: 190.1193

Identification/Properties


Properties
MP:
121-125 °C
BP:
255°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
190.121g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
190.024g/mol
Monoisotopic Mass:
190.024g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
198
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

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NMR Spectrum


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Chemical Structure



2,4,5-Trifluorophenylacetic Acid is a versatile compound commonly used in chemical synthesis due to its unique properties and reactivity. This compound is notably employed as a key intermediate in the preparation of various pharmaceuticals, agrochemicals, and fine chemicals. Its trifluoromethyl group imparts valuable characteristics to the synthesized products, such as increased stability, lipophilicity, and bioavailability. Additionally, 2,4,5-Trifluorophenylacetic Acid serves as a crucial building block in the creation of complex molecules through its ability to participate in diverse chemical transformations, including aromatic substitution, esterification, and selective functional group manipulations. Its wide range of applications in organic synthesis makes it a valuable tool for researchers and chemists in designing and developing novel compounds with desirable properties.