2-(4-Bromo-2-methylphenyl)acetonitrile

Name: 2-(4-Bromo-2-methylphenyl)acetonitrile
Brand: ChemScene
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CAS No. 215800-05-8
Cat. No. CS-0103703
Purity≥98%
MDL No.MFCD14582920

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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-(4-Bromo-2-methylphenyl)acetonitrile|CS-0103703

Structure of 215800-05-8

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Description

2-(4-Bromo-2-methylphenyl)acetonitrile features a brominated aryl moiety paired with a nitrile-bearing side chain, enabling direct incorporation into Suzuki and Sonogashira coupling reactions. The para-bromo substituent provides a reactive handle for C–C bond formation, while the methyl group enhances electron density at the aromatic ring. This structure supports efficient derivatization in pharmaceutical intermediates and functional materials synthesis under standard conditions.

Application

2-(4-Bromo-2-methylphenyl)acetonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its aryl bromide and nitrile functionalities. The methyl group provides steric and electronic modulation, while the acetonitrile moiety offers synthetic handle for further functionalization. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient synthesis of complex heterocyclic scaffolds and API intermediates.

General Information

CAS No. 215800-05-8
Cat. No. CS-0103703
Purity ≥98%
MDL No. MFCD14582920
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈BrN
Molecular Weight 210.07
Synonym(s) 4-broMo-2-Methylphenylacetonitrile
SMILES N#CCC1=CC=C(Br)C=C1C

Computational Chemistry Data

TPSA 23.79
LogP 2.8236
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

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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2-(4-Bromo-2-methylphenyl)acetonitrile

CAS No. 215800-05-8

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