3-Thiophenecarboxaldehyde, 5-(trifluoromethyl)-


Chemical Name: 3-Thiophenecarboxaldehyde, 5-(trifluoromethyl)-
CAS Number: 96518-84-2
Product Number: AG003M89(AGN-PC-0OOEEU)
Synonyms:
MDL No:
Molecular Formula: C6H3F3OS
Molecular Weight: 180.1476

Identification/Properties


Computed Properties
Molecular Weight:
180.144g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
179.986g/mol
Monoisotopic Mass:
179.986g/mol
Topological Polar Surface Area:
45.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
156
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



5-(Trifluoromethyl)thiophene-3-carbaldehyde is a versatile compound widely used in chemical synthesis as a key building block in the production of various pharmaceuticals, agrochemicals, and materials. Its unique structure, containing a trifluoromethyl group and a thiophene ring, imparts valuable properties that have led to its importance in organic synthesis. This compound serves as a valuable starting material in the development of new drugs, crop protection agents, and functional materials. Its use in the synthesis of complex molecules allows for the creation of novel compounds with enhanced biological activities or tailored physical properties. By incorporating 5-(Trifluoromethyl)thiophene-3-carbaldehyde into chemical reactions, chemists can access a wide range of diverse molecules that can have significant impacts in various industries.