Cyclohexanecarboxylic acid, 4-(trifluoromethyl)-, trans-


Chemical Name: Cyclohexanecarboxylic acid, 4-(trifluoromethyl)-, trans-
CAS Number: 133261-33-3
Product Number: AG0014IB(AGN-PC-0O13EP)
Synonyms:
MDL No:
Molecular Formula: C8H11F3O2
Molecular Weight: 196.1669

Identification/Properties


Properties
MP:
154 °C
BP:
233.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
196.169g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
196.071g/mol
Monoisotopic Mass:
196.071g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
192
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



The trans-4-(Trifluoromethyl)cyclohexanecarboxylic acid is a versatile compound utilized in chemical synthesis for its unique reactivity and properties. This compound is commonly employed as a building block in organic synthesis reactions due to its ability to introduce a trifluoromethyl group into various organic molecules. The presence of the trifluoromethyl group imparts increased chemical stability and alters the physicochemical properties of the resulting compounds, making them valuable in pharmaceutical, agrochemical, and materials science applications. In addition, the trans-4-(Trifluoromethyl)cyclohexanecarboxylic acid can serve as a precursor for the synthesis of complex molecules with diverse functionalities, thereby expanding the scope of possible chemical transformations in synthetic routes. Its strategic incorporation into organic frameworks can lead to the development of novel compounds with enhanced biological activity, improved physical properties, or tailored reactivity profiles.