Benzene, 1-azido-2-(trifluoromethyl)-


Chemical Name: Benzene, 1-azido-2-(trifluoromethyl)-
CAS Number: 1548-68-1
Product Number: AG003DYF(AGN-PC-00LKFK)
Synonyms:
MDL No:
Molecular Formula: C7H4F3N3
Molecular Weight: 187.1220

Identification/Properties


Computed Properties
Molecular Weight:
187.125g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
187.036g/mol
Monoisotopic Mass:
187.036g/mol
Topological Polar Surface Area:
14.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
220
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



1-Azido-2-(trifluoromethyl)benzene solution plays a crucial role in chemical synthesis as a versatile reagent in organic reactions. Its unique azido and trifluoromethyl functional groups make it a powerful tool for introducing azide and trifluoromethyl moieties into organic molecules. In the field of medicinal chemistry, 1-Azido-2-(trifluoromethyl)benzene solution is commonly used for the modification of drug molecules to enhance their pharmacological properties. The azido group can serve as a handle for further functionalization through click chemistry reactions, allowing for the synthesis of novel drug candidates with improved biological activity. Additionally, the trifluoromethyl group can impart lipophilicity and modify the electronic properties of the molecule, leading to potential enhancements in drug potency and selectivity.Furthermore, in the area of materials science, 1-Azido-2-(trifluoromethyl)benzene solution can be employed in the modification of polymers and surfaces. By incorporating the azido and trifluoromethyl functionalities, researchers can engineer materials with tailored properties such as improved adhesion, wettability, and resistance to degradation.Overall, the use of 1-Azido-2-(trifluoromethyl)benzene solution in chemical synthesis enables the synthesis of diverse compounds with enhanced properties for applications in drug discovery, materials science, and other fields of research.