3-Chloro-5-fluorobenzonitrile

Name: 3-Chloro-5-fluorobenzonitrile
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CAS No. 327056-73-5
Cat. No. CS-W010923
Purity≥98%
MDL No.MFCD03407967

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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3-Chloro-5-fluorobenzonitrile|CS-W010923

Structure of 327056-73-5

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Description

3-Chloro-5-fluorobenzonitrile features a dual halogenated aromatic core with orthogonal electron-withdrawing substituents, enabling selective coupling in cross-coupling reactions. The nitrile group provides a robust handle for downstream functionalization, while the fluorine and chlorine atoms offer complementary reactivity profiles. This compound exhibits excellent stability under standard bench conditions and integrates readily into complex molecular architectures.

Application

3-Chloro-5-fluorobenzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling direct functionalization at the aromatic ring through palladium-catalyzed cross-coupling reactions. The ortho-chloro and meta-fluoro substituents provide orthogonal reactivity for sequential derivatization, while the nitrile group offers high stability and compatibility with diverse synthetic transformations. Its bench-stable solid form facilitates handling and purification, making it ideal for scalable synthesis of pharmaceutical intermediates and advanced heterocyclic scaffolds.

General Information

CAS No. 327056-73-5
Cat. No. CS-W010923
Purity ≥98%
MDL No. MFCD03407967
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃ClFN
Molecular Weight 155.56
Synonym(s) Benzonitrile, 3-chloro-5-fluoro-
SMILES C1=C(Cl)C=C(F)C=C1C#N

Computational Chemistry Data

TPSA 23.79
LogP 2.35078
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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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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3-Chloro-5-fluorobenzonitrile

CAS No. 327056-73-5

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