4-Chloro-2,6-difluorobenzonitrile

Name: 4-Chloro-2,6-difluorobenzonitrile
Brand: ChemScene
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CAS No. 886500-41-0
Cat. No. CS-0098741
Purity≥95%
MDL No.MFCD06660237

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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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4-Chloro-2,6-difluorobenzonitrile|CS-0098741

Structure of 886500-41-0

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General Information

CAS No. 886500-41-0
Cat. No. CS-0098741
Purity ≥95%
MDL No. MFCD06660237
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₂ClF₂N
Molecular Weight 173.55
Synonym(s) None
SMILES N#CC1=C(C=C(C=C1F)Cl)F

Description

4-Chloro-2,6-difluorobenzonitrile features a trifunctional aromatic core with electron-withdrawing nitrile and halogen substituents. This bench-stable scaffold enables direct incorporation into pharmaceutical intermediates, offering enhanced reactivity in cross-coupling and nucleophilic substitution processes.

Application

4-Chloro-2,6-difluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of fluorinated heterocycles and substituted biaryl systems. Its orthogonal reactivity profile—combining electrophilic substitution compatibility with stable nitrile and halogen functionalities—facilitates downstream functionalization via Pd-catalyzed cross-coupling, nucleophilic aromatic substitution, and directed ortho-metalation. Bench-stable and readily purified by recrystallization, it supports scalable synthesis of complex scaffolds with enhanced metabolic stability and targeted physicochemical properties.

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 3439
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H319-H331-H335
Precautionary Statements : P264-P270-P330-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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4-Chloro-2,6-difluorobenzonitrile

CAS No. 886500-41-0

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