CAS 705-31-7

4-Ethynyl-alpha,alpha,alpha-trifluorotoluene

Description:

4-Ethynyl-alpha,alpha,alpha-trifluorotoluene, with the CAS number 705-31-7, is an organic compound characterized by its unique trifluoromethyl and ethynyl functional groups. This compound features a toluene backbone, which is a benzene ring with a methyl group, substituted at the para position with an ethynyl group (–C≡C–) and at the alpha position with three fluorine atoms. The presence of the trifluoromethyl group significantly influences its chemical properties, enhancing its stability and lipophilicity, while also affecting its reactivity. This compound is typically used in organic synthesis and may serve as an intermediate in the production of various fluorinated compounds. Its physical properties, such as boiling point and solubility, can vary based on the molecular structure and the presence of the ethynyl and trifluoromethyl groups. Safety data indicates that, like many fluorinated compounds, it should be handled with care due to potential toxicity and environmental concerns. Overall, 4-Ethynyl-alpha,alpha,alpha-trifluorotoluene is a valuable compound in the field of synthetic organic chemistry.

Formula: C₉H₅F₃

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

InChI key: XTKBMZQCDBHHKY-UHFFFAOYSA-N

SMILES: C#Cc1ccc(cc1)C(F)(F)F

Synonyms:

• 4-(Trifluoromethyl)phenylacetylene
• 1-Ethynyl-4-(Trifluoromethyl)Benzene
• 4'-Trifluoromethylphenyl acetylene
• 4-Ethynyl-α,α,α-trifluorotoluene

4-(Trifluoromethyl)phenylacetylene

CAS: 705-31-7

4-(Trifluoromethyl)phenylacetylene

Formula: C₉H₅F₃

Purity: 97%

Color and Shape: Colourless Liquid-Clear

Molecular weight: 170.1312

Ref: 54-PC9586

4-(Trifluoromethyl)phenylacetylene

CAS: 705-31-7

Formula: C₉H₅F₃

Purity: 98%

Color and Shape: Liquid

Molecular weight: 170.1312

Ref: IN-DA00340V

1-Ethynyl-4-(trifluoromethyl)benzene

CAS: 705-31-7

Formula: C₉H₅F₃

Purity: >98.0%(GC)

Color and Shape: Colorless to Yellow clear liquid

Molecular weight: 170.13

Ref: 3B-E0626

1-ethynyl-4-(trifluoromethyl)benzene

CAS: 705-31-7

4-(Trifluoromethyl)phenylacetylene

Formula: C₉H₅F₃

Purity: 97%

Molecular weight: 170.13

Ref: IN-DG7196

4'-Trifluoromethylphenyl acetylene

CAS: 705-31-7

Formula: C₉H₅F₃

Purity: 97%

Color and Shape: Liquid

Molecular weight: 170.134

Ref: 10-F040280

4-(Trifluoromethyl)phenylacetylene

CAS: 705-31-7

4-(Trifluoromethyl)phenylacetylene is a functional group that has been synthesized by reacting an azide with a terminal alkynes. 4-(Trifluoromethyl)phenylacetylene can be used as a ligand in biomolecular syntheses and has shown fluorescence properties. It has been used to study the reactivity of metal complexes, such as copper and mercury, with other ligands. The crystal x-ray diffraction of 4-(trifluoromethyl)phenylacetylene shows that it is an unsymmetrical molecule. This functional group is not commercially available but can be recycled.

Formula: C₉H₅F₃

Purity: Min. 95%

Color and Shape: Clear Liquid

Molecular weight: 170.13 g/mol

Ref: 3D-FT102218