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TCI

CAS 71989-93-0

2,4,6-Trihydroxybenzoic Acid Monohydrate TCI P0601

2,4,6-Trihydroxybenzoic Acid Monohydrate TCI P0601

Chemical Identity

CAS No.
71989-93-0
PubChem
CID 66520·SID 87574767
Formula
C7H6O5
Molecular weight
170.12 g/mol
Purity
>95.0%(T)
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
2,4,6-trihydroxybenzoic acid
SMILES
C1=C(C=C(C(=C1O)C(=O)O)O)O
InChIKey
IBHWREHFNDMRPR-UHFFFAOYSA-N
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2,4,6-Trihydroxybenzoic Acid Monohydrate from TCI (product code P0601) is a benzoic acid with three hydroxyl groups at the 2, 4 and 6 positions, supplied as the monohydrate. It is also called phloroglucinol carboxylic acid because its skeleton is closely related to phloroglucinol. Laboratories use it as a building block for synthesizing polyphenolic compounds, as a model compound in antioxidant research, and as a precursor to a range of oxygen-rich aromatic derivatives, including scaffolds that resemble natural products.

Chemists choose this compound for its symmetrical substitution pattern. Three phenolic hydroxyl groups flank a single carboxylic acid group, which makes the aromatic ring very electron-rich and highly reactive toward electrophilic substitution. Because the hydroxyl and carboxyl groups sit next to each other, the molecule can also bind metal ions, which makes it useful for studying coordination complexes. Compounds of this type can lose CO2 (decarboxylation) and form phloroglucinol when heated or under certain conditions, so reaction plans need to account for this. The monohydrate form is easy to weigh, but the water of crystallization must be included in stoichiometric calculations.

In Indonesian laboratories, this material is typically used in university organic chemistry research groups, natural product and phytochemistry studies, and pharmaceutical or food science departments working on antioxidants and phenolic compounds. It is also useful in teaching and research labs that study aromatic substitution reactions or metal coordination chemistry. Researchers usually order it as a well-defined reference building block that fits standard synthetic workflows alongside other non-heterocyclic intermediates.

  • Polyphenol synthesis: the electron-rich trihydroxylated ring makes it a versatile starting building block for assembling larger polyphenolic structures through controlled aromatic chemistry.
  • Antioxidant research: its multiple phenolic hydroxyl groups make it a convenient model compound for studying how phenolic structures behave in antioxidant assays and mechanistic investigations.
  • Preparation of oxygen-rich aromatic derivatives: it serves as a precursor for a range of highly oxygenated aromatic compounds, including scaffolds that resemble those found in natural products.
  • Electrophilic aromatic substitution studies: three hydroxyl groups strongly activate the ring, so it is a useful substrate for exploring the reactivity and selectivity of electrophilic substitution.
  • Coordination chemistry: the neighbouring hydroxyl and carboxyl groups can chelate metal ions, which makes this compound relevant to research on metal–ligand complexes and their properties.

Brand TCI (product code P0601)
CAS number 71989-93-0
Molecular formula —
Purity —
Category Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes see the available options on the product page
Physical form solid, supplied as the monohydrate (account for the water of crystallization in stoichiometry)
Storage keep tightly closed in a cool, dry place away from heat, following the supplier's label and safety data sheet

Store 2,4,6-Trihydroxybenzoic Acid Monohydrate in its original, tightly sealed container in a cool, dry, well-ventilated area, away from heat sources and direct sunlight. Because this type of compound can decarboxylate to phloroglucinol when heated, avoid prolonged exposure to high temperatures during storage and handling. Keep it separate from strong oxidizing agents and bases. Handle it with standard laboratory protective equipment, including gloves, safety glasses and a lab coat. Avoid creating or breathing in dust, and weigh it in a well-ventilated area or under local exhaust. Always check the supplier's safety data sheet for specific hazard and disposal information before use.

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