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TCI

CAS 100-21-0

Terephthalic Acid TCI T0166

Terephthalic Acid TCI T0166

Chemical Identity

CAS No.
100-21-0
PubChem
CID 7489·SID 87576161
Formula
C8H6O4
Molecular weight
166.13 g/mol
Purity
>99.0%(GC)(T)
Reference databases
ChEBI·ChemSpider·ECHA·Wikipedia
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
terephthalic acid
SMILES
C1=CC(=CC=C1C(=O)O)C(=O)O
InChIKey
KKEYFWRCBNTPAC-UHFFFAOYSA-N
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Terephthalic Acid from TCI is an aromatic dicarboxylic acid with two carboxyl groups at the para (1,4) positions of a benzene ring. It is best known as the main monomer of polyethylene terephthalate (PET), the plastic widely used for bottles and polyester fibres. In materials research, terephthalic acid is one of the most important organic linkers for synthesising Metal-Organic Frameworks (MOFs). For this reason, TCI lists it under MOF raw materials and organic-inorganic hybrid materials, making it a core reagent for laboratories working on porous framework chemistry.

Its linear, rigid and symmetrical molecular shape makes terephthalic acid an ideal bridge between metal clusters. This linker forms ordered porous frameworks such as MOF-5 with zinc, UiO-66 with zirconium, and MIL-53 and MIL-101 with trivalent metals. Both carboxyl groups deprotonate easily and coordinate strongly with metal ions, which gives stable, well-defined structures. It has low solubility in water but dissolves in polar solvents such as DMF and DMSO, which are commonly used in solvothermal synthesis. Terephthalic acid also reacts with hydroxyl radicals to form a fluorescent product, so it is useful as an analytical probe.

In Indonesia, terephthalic acid is relevant to university research groups, materials science laboratories and polymer research teams. Researchers developing MOFs for gas adsorption, catalysis or separation studies use it as a standard linker when they synthesise and benchmark well-known frameworks. Polymer and plastics laboratories use it as a reference compound in PET-related studies. Environmental and analytical chemistry groups can use its reaction with hydroxyl radicals to study oxidation processes and advanced oxidation treatments.

TCI brochures (PDF)

  • MOF synthesis: terephthalic acid is a standard linear dicarboxylate linker for building frameworks such as MOF-5, UiO-66, MIL-53 and MIL-101 with zinc, zirconium and trivalent metals.
  • Solvothermal reactions: it dissolves in polar solvents such as DMF and DMSO, which suits the solvothermal methods most often used to grow crystalline porous frameworks in the laboratory.
  • Coordination chemistry studies: its two easily deprotonated carboxyl groups bind strongly to metal ions, making it a useful model ligand for studying how metal clusters are bridged.
  • Polymer and PET research: as the main monomer of polyethylene terephthalate, it serves as a reference compound in studies of polyester synthesis, PET materials and polyester fibres.
  • Hydroxyl radical detection: terephthalic acid reacts with hydroxyl radicals to form a fluorescent product, so it works as an analytical probe in oxidation and photocatalysis experiments.

Brand TCI (product code T0166)
CAS number 100-21-0
Molecular formula —
Purity —
Category Materials Science > Organic-Inorganic Hybrid Materials > Metal Organic Frameworks (MOF) and Their Raw Materials
Pack sizes available in the TCI pack sizes listed on the product page
Physical form solid; see the product label and certificate of analysis for details
Storage keep tightly closed in a cool, dry place

Store terephthalic acid in its original, tightly closed container in a cool, dry and well-ventilated area, away from heat sources, direct sunlight and incompatible materials such as strong oxidising agents. After opening, reseal the container promptly to protect the contents from moisture and contamination. Wear standard laboratory protective equipment, including safety glasses, gloves and a lab coat. Avoid creating or breathing in dust, and weigh the powder in a fume hood or a ventilated area. Before use, read the TCI Safety Data Sheet for specific hazards, first-aid measures and disposal requirements, and follow your institution's chemical safety procedures.

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