5-[3-(Trifluoromethyl)phenyl]oxazole


Chemical Name: 5-[3-(Trifluoromethyl)phenyl]oxazole
CAS Number: 175205-48-8
Product Number: AG0020P7(AGN-PC-0KKYE2)
Synonyms:
MDL No:
Molecular Formula: C10H6F3NO
Molecular Weight: 213.1559

Identification/Properties


Computed Properties
Molecular Weight:
213.159g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
213.04g/mol
Monoisotopic Mass:
213.04g/mol
Topological Polar Surface Area:
26A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
219
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:
Warning
UN#:
N/A
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



5-(3-(Trifluoromethyl)phenyl)oxazole is a versatile compound widely used in chemical synthesis as a key building block. Its unique structure allows it to participate in a variety of reactions, making it a valuable tool for the preparation of various organic molecules. This compound is commonly employed in the synthesis of pharmaceuticals, agrochemicals, and materials science due to its ability to introduce functional groups and molecular scaffolds with high efficiency. In organic chemistry, 5-(3-(Trifluoromethyl)phenyl)oxazole is often utilized as a precursor in the creation of complex chemical structures, enabling chemists to access a diverse range of compounds for further study and application. Its strategic placement of the trifluoromethyl group provides enhanced reactivity and control over the selectivity of reactions, making it a valuable asset in the pursuit of novel molecules with improved properties.