2,4,5-Trifluorobenzonitrile

CAS Number 98349-22-5

Chemistry Building Blocks, Fluorinated Building Blocks, Materials, Monomers

2,4,5-Trifluorobenzonitrile CAS 98349-22-5

A polyfluorinated benzonitrile building block

Used as a precursor for synthesising APIs and COFs

Specifications | MSDS | Literature and Reviews

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

For facile synthesis

Fluorinated benzonitrile building block

For triazine COFs, medicinal chemistry and biochemistry research

Worldwide shipping

Quick and reliable shipping

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

Product Details

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

MSDS Documentation

2,4,5-Trifluorobenzonitrile MSDS Sheet

Literature and Reviews

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.
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.
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.

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.
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.