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2,4,5-Trifluorobenzonitrile

CAS Number 98349-22-5

Chemistry Building Blocks, Fluorinated Building Blocks, Monomers

2,4,5-Trifluorobenzonitrile CAS 98349-22-5
Product Code B2691-10g
Price £80 ex. VAT
£ GBP

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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.
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