2-Chloro-4,6-difluorobenzonitrile

Name: 2-Chloro-4,6-difluorobenzonitrile
Brand: ChemScene
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CAS No. 1242338-90-4
Cat. No. CS-0157731
Purity≥97%
MDL No.MFCD16817646

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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-Chloro-4,6-difluorobenzonitrile|CS-0157731

Structure of 1242338-90-4

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General Information

CAS No. 1242338-90-4
Cat. No. CS-0157731
Purity ≥97%
MDL No. MFCD16817646
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₂ClF₂N
Molecular Weight 173.55
Synonym(s) 6-difluorobenzonitrile
SMILES C1=C(C=C(C(=C1Cl)C#N)F)F

Description

2-Chloro-4,6-difluorobenzonitrile features a trifluorinated aromatic core with orthogonal reactive handles: the nitrile group enables nucleophilic additions, while the chlorine atom facilitates palladium-catalyzed cross-couplings. This electron-deficient scaffold integrates readily into complex heterocycles and serves as a key building block in agrochemical and pharmaceutical synthesis under standard conditions.

Application

2-Chloro-4,6-difluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis. Its electron-deficient aromatic core enables efficient Suzuki-Miyaura and Buchwald-Hartwig couplings, while the nitrile group offers orthogonal reactivity for downstream functionalization. Bench-stable and compatible with standard purification methods, it facilitates the construction of complex heterocyclic scaffolds and API intermediates with high regioselectivity.

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-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 23.79
LogP 2.48988
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Chloro-4,6-difluorobenzonitrile

CAS No. 1242338-90-4

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