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Product Code B2511-5g
Price $113 ex. VAT

A polyfluorinated benzoic acid building block

Applied as a transient directing group in catalytic C-H activation and a building block for APIs

Specifications | MSDS | Literature and Reviews

3,4,5-Trifluorobenzoic acid (CAS number 121602-93-5) is a benzoic acid derivative with three fluorine substituents at para- and meta-positions. 3,4,5-Trifluorobenzoic acid finds its application as a transient directing group in transition metal catalysed C-H activation reactions. The fluorine electron withdrawing groups contribute the ideal acidity to the carboxylic acid while no steric hindrance group is present at the ortho-positions. 3,4,5-Trifluorobenzoic acid assists the concerted metalation deprotonation as the C-H activation step, thus facilitating the catalytic cycle.

A salt of 3,4,5-trifluorobenzoic acid improves the solubility and permeability of naftopidil in benign prostatic hyperplasia treatment. 3,4,5-Trifluorobenzoic acid is also used as a synthetic building block for dibenzoate esters type anticancer drugs.

Multiple functional groups

Multiple functional groups

For facile synthesis

Fluorinated building block

Fluorinated benzoic acid building block

For organic synthesis, medicinal chemistry and biochemistry research

Worldwide shipping for 121602-93-5

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High purity 121602-93-5

High purity

>98% High purity

General Information

CAS Number 121602-93-5
Chemical Formula C7H3F3O2
Full Name 3,4,5-Trifluorobenzoic acid
Molecular Weight 176.09 g/mol
Synonyms N/A
Classification / Family Fluorinated building block, APIs, Transiet directing groups, Reaction additives, C-H activation

Chemical Structure

3,4,5-Trifluorobenzoic acid chemical structure, CAS 121602-93-5.
3,4,5-Trifluorobenzoic acid chemical structure, CAS 121602-93-5

Product Details

Purity 98%
Melting Point Tm = 97 °C – 99 °C
Appearance White crystals

MSDS Documentation

3,4,5-Trifluorobenzoic acid MSDS Sheet3,4,5-Trifluorobenzoic acid MSDS Sheet

Literature and Reviews

  1. PdII-catalyzed C(alkenyl)-H activation facilitated by a transient directing group, M. Liu et al., Angew. Chem. Int. Ed., 61, e202203624(2022); DOI: 10.1002/anie.202203624.
  2. Dibenzoate esters of cis-tetralin-2,3-diol as analogs of (−)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates, R. Rutherford et al., Acta Cryst., C76, 1085–1095(2020); DOI: 10.1107/S2053229620014916.
  3. Fluorobenzoic acid coformers to improve the solubility and permeability of the BCS class IV drug naftopidil, M. Mannava et al., Chem. Commun., 58, 5582–5585(2022); DOI: 10.1039/D1CC07187D.
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