Benzene, 1,3,5-trifluoro-2-methyl-


Chemical Name: Benzene, 1,3,5-trifluoro-2-methyl-
CAS Number: 93343-11-4
Product Number: AG0064B5(AGN-PC-08XZGH)
Synonyms:
MDL No: MFCD04039204
Molecular Formula: C7H5F3
Molecular Weight: 146.1098

Identification/Properties


Properties
BP:
105-110
Computed Properties
Molecular Weight:
146.112g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
146.034g/mol
Monoisotopic Mass:
146.034g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
103
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



Benzene, 1,3,5-trifluoro-2-methyl- is a versatile compound widely used in chemical synthesis. Due to its unique structure and properties, this compound serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its trifluoromethyl and methyl groups provide opportunities for modifying its reactivity and enhancing its stability in reactions.In organic synthesis, Benzene, 1,3,5-trifluoro-2-methyl- can be used as a key intermediate for creating complex molecules with potential biological activities. Its trifluoromethyl group is particularly important as it can influence the physicochemical properties of the resulting compounds, such as lipophilicity and metabolic stability. This compound's presence in a molecule can also lead to improvements in its pharmacokinetic properties, making it a valuable tool for drug discovery and development.Furthermore, the introduction of the 1,3,5-trifluoro-2-methyl- benzene moiety into chemical structures can also impart unique functionalities, leading to the development of novel materials with specific characteristics. Its incorporation in polymers, for instance, can result in materials with enhanced thermal and chemical resistance.Overall, Benzene, 1,3,5-trifluoro-2-methyl- plays a crucial role in the realm of chemical synthesis, offering a wide range of possibilities for designing and preparing diverse compounds with tailored properties for various industrial applications.