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2,4,5-Trifluorobenzonitrile

CAS Number 98349-22-5

Chemistry Building Blocks, Fluorinated Building Blocks, Monomers


Product Code B2691-10g
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A polyfluorinated benzonitrile building block

Used as a precursor for synthesising APIs and COFs


2,4,5-Trifluorobenzonitrile (CAS number 98349-22-5) has three fluorides substituting on the benzonitrile core. 2,4,5-Trifluorobenzonitrile serves as a building block for introducing a fluorinated benzonitrile segment to the target molecule by nucleophilic aromatic substitution. A fluorinated analogue of platensimycin, an antibiotic, can be readily synthesised from 2,4,5-trifluorobenzonitrile resulting in a overall yield of 23% over eight steps.

2,4,5-Trifluorobenzonitrile is also employed in the synthesis of dinitrile monomers for polytriazine covalent organic frameworks (COFs). These COFs exhibit BET surface area of 733 m2/g, along with a gas selectivity (CO2/N2) of 48.7 ± 1.2 at 272 K.

Multiple functional groups

Multiple functional groups

For facile synthesis

Fluorinated building block

Fluorinated benzonitrile building block

For triazine COFs, medicinal chemistry and biochemistry research

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High purity 98349-22-5

High purity

>98% High purity

General Information

CAS Number 98349-22-5
Chemical Formula C7H2F3N
Full Name 2,4,5-Trifluorobenzonitrile
Molecular Weight 157.10 g/mol
Synonyms N/A
Classification / Family Fluorinated building blocks, Benzonitrile building blocks, APIs, COFs, Triazines

Chemical Structure

2,4,5-Trifluorobenzonitrile chemical structure, CAS 98349-22-5.
2,4,5-Trifluorobenzonitrile chemical structure, CAS 98349-22-5

Product Details

Purity 98%
Boiling Point Tb = 170 °C at 760 mmHg
Relative Density 1.373 g/mL at 25 °C
Appearance Colourless liquid

MSDS Documentation

2,4,5-Trifluorobenzonitrile2,4,5-Trifluorobenzonitrile MSDS Sheet

Literature and Reviews

  1. Structure-activity relationship studies leading to the identification of (2E)-3-[l-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methyl-lH-indol-7-yl]-N-[(4,5-dichloro-2-thienyl)sulfonyl]-2-propenamide (DG-041) a potent and selective prostanoid EP3 receptor antagonist, as a novel anti-platelet agent that does not prolong bleeding, J. Singh et al., J. Med. Chem.,53(1), 18–36(2010); DOI: 10.1021/jm9005912.
  2. Semisynthesis and biological evaluation of platensimycin analogues with varying aminobenzoic acid, K. Tian et al., ChemistrySelect., 3(44), 12625–12629; DOI: 10.1002/slct.201802475.
  3. Evaluation of structure-active relationship of microtubule(MT)-targeting 1,2,4-triazolo[1,5-a]pyrimidines identifies new candidates for neurodegenerative tauopathies, K. Oukoloff et al., J. Med. Chem., 64(2), 1073–1102(2021)DOI: 10.1021/acs.jmedchem.0c01605.
  4. Surpassing Robeson upper limit for CO2/N2 separation with fluorinated carbon molecular sieve membranes, Z. Yang et al., Chem., 6, 631–645(2020); DOI: 10.1016/j.chempr.2019.12.006.
  5. Synthesis and evaluation of 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid as a linker in solid-phase synthesis monitored by gel-phase 19F NMR spectroscopy, F. Wallner et al., Org. Biomol. Chem., 5, 2464–2471(2007); DOI: 10.1039/b704472k.

To the best of our knowledge the information provided here is accurate. The values provided are typical at the time of manufacture and may vary over time and from batch to batch. Products may have minor cosmetic differences (e.g. to the branding) compared to the photos on our website. All products are for laboratory and research and development use only.

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