2-Bromo-4-(trifluoromethyl)benzonitrile

Name: 2-Bromo-4-(trifluoromethyl)benzonitrile
Brand: ChemScene
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CAS No. 35764-15-9
Cat. No. CS-W003319
Purity≥97%
MDL No.MFCD06659467

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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+
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2-Bromo-4-(trifluoromethyl)benzonitrile|CS-W003319

Structure of 35764-15-9

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General Information

CAS No. 35764-15-9
Cat. No. CS-W003319
Purity ≥97%
MDL No. MFCD06659467
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₃BrF₃N
Molecular Weight 250.02
Synonym(s) 3-Bromo-4-cyanobenzotrifluoride
SMILES N#Cc1ccc(cc1Br)C(F)(F)F

Description

2-Bromo-4-(trifluoromethyl)benzonitrile features a trifluoromethyl group and a nitrile moiety positioned meta to a bromine substituent on a benzene ring. This electron-deficient aryl halide enables efficient cross-coupling reactions, particularly in palladium-catalyzed processes. The molecule exhibits bench-stable handling characteristics and compatibility with diverse reaction conditions.

Application

2-Bromo-4-(trifluoromethyl)benzonitrile serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions to construct biaryl and heteroaryl architectures. The nitrile group provides a handle for further functionalization, while the trifluoromethyl moiety enhances metabolic stability and lipophilicity—key attributes in medicinal chemistry. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient synthesis of complex scaffolds.

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 3.33958
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-4-(trifluoromethyl)benzonitrile

CAS No. 35764-15-9

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