2-Bromo-5-fluoro-4-methylbenzonitrile

Name: 2-Bromo-5-fluoro-4-methylbenzonitrile
Brand: ChemScene
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CAS No. 916792-11-5
Cat. No. CS-0321834
Molecule weight214.03
Purity≥97%
MDL No.None

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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2-Bromo-5-fluoro-4-methylbenzonitrile|CS-0321834

Structure of 916792-11-5

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General Information

CAS No. 916792-11-5
Cat. No. CS-0321834
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrFN
Molecular Weight 214.03
Synonym(s) None
SMILES CC1=CC(=C(C=C1F)C#N)Br

Description

2-Bromo-5-fluoro-4-methylbenzonitrile features a trifunctional aryl scaffold with bromine, fluorine, and nitrile groups positioned for orthogonal reactivity. This electron-deficient platform enables selective coupling in cross-coupling cascades and serves as a key intermediate in pharmaceutical and agrochemical synthesis.

Application

2-Bromo-5-fluoro-4-methylbenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its compatible halogen and nitrile functionalities. The ortho-bromo group facilitates Suzuki, Stille, and Negishi couplings, while the fluoro and methyl substituents provide electronic modulation and steric control. Bench-stable and amenable to standard purification methods, it functions reliably in multi-step syntheses of complex heterocyclic scaffolds and API intermediates.

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

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Computational Chemistry Data

TPSA 23.79
LogP 2.7683
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Other Classifications

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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2-Bromo-5-fluoro-4-methylbenzonitrile

CAS No. 916792-11-5

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