3-Bromo-5-methoxybenzonitrile

Name: 3-Bromo-5-methoxybenzonitrile
Brand: ChemScene
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CAS No. 867366-91-4
Cat. No. CS-W021871
Purity≥98%
MDL No.MFCD08061971

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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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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3-Bromo-5-methoxybenzonitrile|CS-W021871

Structure of 867366-91-4

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Description

3-Bromo-5-methoxybenzonitrile features a bromine atom at the meta position relative to the nitrile group, paired with a methoxy substituent at the para position. This electron-rich aromatic scaffold enables direct functionalization in cross-coupling reactions and serves as a key intermediate in pharmaceutical synthesis.

Application

3-Bromo-5-methoxybenzonitrile serves as a versatile building block for the synthesis of biologically active heterocycles and pharmaceutical intermediates. Its bromo group enables palladium-catalyzed cross-coupling reactions, while the nitrile and methoxy functionalities offer orthogonal reactivity for further functionalization. The compound exhibits excellent bench stability and is readily purified by crystallization or column chromatography, making it well-suited for scalable synthetic workflows in medicinal chemistry and process development.

General Information

CAS No. 867366-91-4
Cat. No. CS-W021871
Purity ≥98%
MDL No. MFCD08061971
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrNO
Molecular Weight 212.04
Synonym(s) Benzonitrile,3-bromo-5-methoxy-
SMILES BrC1=CC(=CC(=C1)C#N)OC

Computational Chemistry Data

TPSA 33.02
LogP 2.32938
H_Acceptors 2
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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3-Bromo-5-methoxybenzonitrile

CAS No. 867366-91-4

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