3-Bromo-5-methylbenzonitrile

Name: 3-Bromo-5-methylbenzonitrile
Brand: ChemScene
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CAS No. 124289-21-0
Cat. No. CS-W003460
Purity≥98%
MDL No.MFCD08061970

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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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Structure of 124289-21-0

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Description

3-Bromo-5-methylbenzonitrile features a bromine atom and a methyl group positioned meta to each other on a benzonitrile scaffold, delivering a sterically accessible site for cross-coupling. The electron-deficient aromatic ring pairs effectively with palladium catalysts, enabling efficient Suzuki-Miyaura and Stille reactions under standard conditions. This bench-stable reagent integrates readily into synthetic sequences requiring halogenated nitriles.

Application

3-Bromo-5-methylbenzonitrile serves as a versatile building block in medicinal chemistry and materials synthesis, enabling palladium-catalyzed cross-coupling reactions due to its well-defined halogen functionality. The nitrile group provides a handle for downstream transformations, including hydrolysis to carboxylic acids or reduction to primary amines. Its methyl substituent enhances solubility and influences electronic properties, while the compound exhibits excellent bench stability and ease of purification, making it ideal for scalable synthesis workflows.

General Information

CAS No. 124289-21-0
Cat. No. CS-W003460
Purity ≥98%
MDL No. MFCD08061970
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrN
Molecular Weight 196.04
Synonym(s) Benzonitrile, 3-bromo-5-methyl-
SMILES N#Cc1cc(C)cc(c1)Br

Computational Chemistry Data

TPSA 23.79
LogP 2.6292
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Safety Information

Download SDS

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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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Bromo-5-methylbenzonitrile

CAS No. 124289-21-0

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