2,4-Difluorobenzonitrile

CAS Number 3939-09-1

Chemistry Building Blocks, Fluorinated Building Blocks, Monomers

A fluorinated benzonitrile building block

Used in synthesizing ligands for OLEDs, photoredox catalysts and APIs

Overview
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2,4-Difluorobenzonitrile (CAS number 3939-09-1) is a benzonitrile derivative with two fluorine atoms at 2- and 4-positions. 2,4-Difluorobenzonitrile is commonly used as a molecular building block for introducing fluorinated benzonitrile to the target molecules by nucleophilic aromatic substitution. The reactive side is primarily on the para-position to the nitrile group, as it is less sterically hindered. 2,4-Difluorobenzonitrile functionalised triazolopyrimidine has been comprehensively studied on treatment of Alzheimer's disease.

2,4-Difluorobenzonitrile reacts with sodium azide for fluorinated tetrazole, a 5-membered ring heterocyclic with four nitrogen atoms. Fluorinated phenyltetrazole forms complexes with iridium showing blue light photoluminescence quantum yield up to 76%. The complexes are promising to be used in OLEDs and photoredox catalytic reactions.

Multiple functional groups

For facile synthesis

Fluorinated benzonitrile building block

For drug discovery, photoredox catalysts, OLEDs research

Worldwide shipping

Quick and reliable shipping

High purity

>98% High purity

General Information

CAS Number	3939-09-1
Chemical Formula	C₇H₃F₂N
Full Name	2,4-Difluorobenzonitrile
Molecular Weight	139.10 g/mol
Synonyms	N/A
Classification / Family	Fluorinated building block, Ligands, OLEDs, APIs, Photoredox catalysts

Chemical Structure

Product Details

Purity	98%
Melting Point	T_m = 47 – 49 °C
Appearance	White to off-white solid

MSDS Documentation

2,4-Difluorobenzonitrile MSDS Sheet

Literature and Reviews

Evaluation of structure-activity 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.
Iridium(III) complexes with fluorinated phenyl-tetrazoles as cyclometalating ligands: enhanced excited-state energy and blue emission, A. Baschieri et al., Inorg. Chem., 59(22), 16238–16250(2020); DOI: 10.1021/acs.inorgchem.0c01995.
Measuring the microphase separation scale of polyurethanes with a vibration-induced emission-based ratiometric 'fluorescent ruler', ACS Appl. Mater. Interfaces, 11, 39351–39358(2019); DOI: 10.1021/acsami.9b13193.
Mechanistic insights into amination via nucleophilic aromatic substitution, J, Kim et al., React. Chem. Eng., Advance Article(2023); DOI: 10.1039/D3RE00215B.
Synthesis of 5-substituted tetrazoles: reaction of azide salts with organonitriles catalyzed by trialkylammonium slats in non-polar media, S. Sarngadharan et al., Org. Process Res. Dev., 26(5), 1432–1441(2022); DOI: 10.1021/acs.oprd.2c00032.

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