4-Bromo-3-chloro-2-fluorobenzonitrile

Name: 4-Bromo-3-chloro-2-fluorobenzonitrile
Brand: ChemScene
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CAS No. 1160574-68-4
Cat. No. CS-0157203
Purity≥98%
MDL No.MFCD11845913

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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-3-chloro-2-fluorobenzonitrile|CS-0157203

Structure of 1160574-68-4

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General Information

CAS No. 1160574-68-4
Cat. No. CS-0157203
Purity ≥98%
MDL No. MFCD11845913
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)F)Cl)Br

Description

4-Bromo-3-chloro-2-fluorobenzonitrile features a trifluorinated aromatic core with orthogonal halogen handles, enabling precise cross-coupling and functionalization in late-stage diversification. This electron-deficient scaffold integrates readily into complex heterocycles and pharmaceutical intermediates under standard conditions.

Application

4-Bromo-3-chloro-2-fluorobenzonitrile serves as a versatile building block for the synthesis of pharmaceutical intermediates and functionalized heterocycles. Its orthogonal halogenation pattern enables selective cross-coupling reactions, including Pd-catalyzed Suzuki and Negishi couplings, with high chemoselectivity. The nitrile group provides a handle for further functionalization via hydrolysis or nucleophilic addition. Bench-stable and readily purified by column chromatography, it is well-suited for scalable medicinal chemistry workflows.

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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-3-chloro-2-fluorobenzonitrile

CAS No. 1160574-68-4

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