Description

Tetrakis(4-ethynylphenyl)methane (CAS No. 177991-01-4) is a highly specialized organic compound with the molecular formula C₃₃H₂₀. This unique molecule features a central methane core bonded to four ethynylphenyl groups, making it a valuable building block for advanced materials research. Its IUPAC name is 1-ethynyl-4-[tris(4-ethynylphenyl)methyl]benzene, highlighting its tetrahedral symmetry and multiple reactive alkyne functionalities.

This compound is particularly noteworthy for its potential in:

• Designing porous organic frameworks (POFs) and covalent organic frameworks (COFs)
• Developing novel dendrimers and star-shaped polymers
• Creating molecular sensors and optoelectronic materials

The presence of four terminal alkyne groups allows for diverse coupling reactions, including Sonogashira, Glaser, and click chemistry, enabling precise molecular architecture control. With a purity typically >95%, this product is ideal for researchers working at the forefront of materials science and nanotechnology.

Properties

• CAS Number: 177991-01-4
• Complexity: 684
• IUPAC Name: 1-ethynyl-4-[tris(4-ethynylphenyl)methyl]benzene
• InChI: InChI=1S/C33H20/c1-5-25-9-17-29(18-10-25)33(30-19-11-26(6-2)12-20-30,31-21-13-27(7-3)14-22-31)32-23-15-28(8-4)16-24-32/h1-4,9-24H
• InChI Key: JGUCYLISNORQFW-UHFFFAOYSA-N
• Exact Mass: 416.156500638
• Molecular Formula: C33H20
• Molecular Weight: 416.5
• SMILES: C#CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C#C)(C3=CC=C(C=C3)C#C)C4=CC=C(C=C4)C#C
• Monoisotopic Mass: 416.156500638
• Synonyms: tetrakis(4-ethynylphenyl)methane, 177991-01-4, 967-674-4, Benzene, 1,1′,1”,1”’-methanetetrayltetrakis[4-ethynyl-, 1-ETHYNYL-4-[TRIS(4-ETHYNYLPHENYL)METHYL]BENZENE, MFCD24873189, YSZC226, SCHEMBL450726, AKOS025149161, AS-70127, CS-0111132, T3151, L10196, 10.14272/JGUCYLISNORQFW-UHFFFAOYSA-N.1, doi:10.14272/JGUCYLISNORQFW-UHFFFAOYSA-N.1

Application

Tetrakis(4-ethynylphenyl)methane serves as a crucial precursor for constructing three-dimensional molecular scaffolds in materials science. Researchers utilize its tetrahedral symmetry to develop advanced porous materials for gas storage and separation applications. The compound’s multiple ethynyl groups enable efficient cross-coupling reactions in the synthesis of conjugated microporous polymers (CMPs). Its rigid structure makes it valuable for creating thermally stable frameworks with precisely tunable pore sizes.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.