2,6-Difluoro-4-methylbenzonitrile

Name: 2,6-Difluoro-4-methylbenzonitrile
Brand: ChemScene
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CAS No. 1803792-98-4
Cat. No. CS-0161505
Purity≥98%
MDL No.MFCD28790316

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2,6-Difluoro-4-methylbenzonitrile|CS-0161505

Structure of 1803792-98-4

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General Information

CAS No. 1803792-98-4
Cat. No. CS-0161505
Purity ≥98%
MDL No. MFCD28790316
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅F₂N
Molecular Weight 153.13
Synonym(s) None
SMILES N#CC1=C(F)C=C(C)C=C1F

Description

2,6-Difluoro-4-methylbenzonitrile features a trifunctional aromatic core with electron-withdrawing fluorine atoms at the 2 and 6 positions, a methyl group at the 4 position, and a nitrile moiety enabling downstream functionalization. This combination imparts enhanced stability, controlled electronic properties, and favorable solubility for use in pharmaceutical intermediates and agrochemical synthesis under standard conditions.

Application

2,6-Difluoro-4-methylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzimidazoles and other heterocyclic scaffolds via nucleophilic aromatic substitution. Its ortho-fluorine substituents facilitate selective functionalization, while the nitrile group provides a handle for downstream transformations. The molecule exhibits good bench stability and is compatible with standard reaction conditions, simplifying purification and integration into multi-step synthetic sequences.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

TPSA 23.79
LogP 2.1449
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2,6-Difluoro-4-methylbenzonitrile

CAS No. 1803792-98-4

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