4-Bromo-5-chloro-2-fluorobenzonitrile

Name: 4-Bromo-5-chloro-2-fluorobenzonitrile
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1349716-15-9
Cat. No. CS-0334377
Purity≥96%
MDL No.None

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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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*For research and further manufacturing use only, not for direct human use.

4-Bromo-5-chloro-2-fluorobenzonitrile|CS-0334377

Structure of 1349716-15-9

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Description

4-Bromo-5-chloro-2-fluorobenzonitrile features a trifunctional aromatic core with strategically positioned halogens and a nitrile group. This electron-deficient scaffold enables direct coupling in cross-coupling reactions, serving as a key building block for pharmaceutical intermediates and functional materials. The combination of bromo, chloro, and fluoro substituents provides orthogonal reactivity and enhanced metabolic stability.

Application

4-Bromo-5-chloro-2-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 halogen reactivity profile supports sequential functionalization, while the nitrile group provides a handle for downstream transformations. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for multi-step synthetic sequences in industrial R&D workflows.

General Information

CAS No. 1349716-15-9
Cat. No. CS-0334377
Purity ≥96%
MDL No. None
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=C(C#N)C(=CC(=C1Cl)Br)F

Computational Chemistry Data

TPSA 23.79
LogP 3.11328
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

Quality Control

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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-5-chloro-2-fluorobenzonitrile

CAS No. 1349716-15-9

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