4-Bromo-2-chloro-3-fluorobenzonitrile

Name: 4-Bromo-2-chloro-3-fluorobenzonitrile
Brand: ChemScene
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CAS No. 1427439-32-4
Cat. No. CS-0197741
Purity≥95%
MDL No.MFCD23707414

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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-Bromo-2-chloro-3-fluorobenzonitrile|CS-0197741

Structure of 1427439-32-4

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General Information

CAS No. 1427439-32-4
Cat. No. CS-0197741
Purity ≥95%
MDL No. MFCD23707414
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₂BrClFN
Molecular Weight 234.45
Synonym(s) None
SMILES C1=CC(=C(C(=C1C#N)Cl)F)Br

Description

4-Bromo-2-chloro-3-fluorobenzonitrile features a trifunctional aryl core with halogen and nitrile substituents positioned for orthogonal reactivity. This electron-deficient aromatic system enables selective cross-coupling under palladium catalysis, facilitating the construction of complex pharmaceutical intermediates. The strategic substitution pattern enhances metabolic stability while maintaining solubility in common organic solvents.

Application

4-Bromo-2-chloro-3-fluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of substituted heterocycles via palladium-catalyzed cross-coupling reactions. Its orthogonal halogenation pattern supports sequential functionalization, while the nitrile group provides a handle for downstream transformations. The compound exhibits excellent bench stability and is compatible with standard reaction conditions, facilitating straightforward 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-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 23.79
LogP 3.11328
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Bromo-2-chloro-3-fluorobenzonitrile

CAS No. 1427439-32-4

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