CAS 705-31-7 4-Ethynyl-α,α,α-trifluorotoluene

NAVIGATION

4-Ethynyl-α,α,α-trifluorotoluene

PRICE INQUIRY

Catalog Number

ACM705317-1

CAS Number

705-31-7

Product Name

4-Ethynyl-α,α,α-trifluorotoluene

Structure

Category

Liquid Crystal (LC) Building Blocks

IUPAC Name

1-ethynyl-4-(trifluoromethyl)benzene

Molecular Weight

170.13g/mol

Molecular Formula

C9H5F3

Canonical SMILES

C#CC1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C9H5F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h1,3-6H

InChI Key

XTKBMZQCDBHHKY-UHFFFAOYSA-N

Application

4-Ethynyl-α,α,α-trifluorotoluene, a pale yellow liquid, is primarily utilized as a versatile building block in synthetic chemistry. It serves as a key precursor in the creation of complex organic molecules such as 6,13-bis(4-trifluoromethylphenylethynyl)pentacene, which can be used in electronic materials, and 1,2-dialkynylimidazoles, a class of compounds with potential applications in pharmaceutical research. Additionally, it plays a crucial role in the formation of the trans-[Co(cyclam)(p-CCC6H4CF3)2]OTf complex, where it is combined with 1,4,8,11-tetraazacyclotetradecane and trifluoromethane sulfonate to create coordination compounds potentially valuable in catalysis. Furthermore, it is instrumental in the synthesis of 3-spiroazetidinimine-2-oxindoles, which are of interest for their structurally unique frameworks and possible biological activities.

Complexity

188

Covalently-Bonded Unit Count

Exact Mass

170.034335g/mol

Formal Charge

Hazard Statements

H226-H315-H319-H335

Heavy Atom Count

Monoisotopic Mass

170.034335g/mol

Rotatable Bond Count