Methyl 4-bromo-2-cyanobenzoate

Name: Methyl 4-bromo-2-cyanobenzoate
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CAS No. 1223434-15-8
Cat. No. CS-0041626
Purity≥97%
MDL No.MFCD18398741

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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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Methyl 4-bromo-2-cyanobenzoate|CS-0041626

Structure of 1223434-15-8

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General Information

CAS No. 1223434-15-8
Cat. No. CS-0041626
Purity ≥97%
MDL No. MFCD18398741
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆BrNO₂
Molecular Weight 240.05
Synonym(s) None
SMILES O=C(OC)C1=CC=C(Br)C=C1C#N

Description

Methyl 4-bromo-2-cyanobenzoate features a bromine substituent and a cyano group positioned ortho to the ester functionality, enabling selective cross-coupling reactions. This electron-deficient aromatic system facilitates efficient palladium-catalyzed transformations, integrating readily into complex molecular architectures under standard conditions.

Application

Methyl 4-bromo-2-cyanobenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its bromine and ester functionalities. The nitrile group provides additional reactivity for downstream transformations, including amidation or reduction. Its bench-stable nature and compatibility with common protecting groups facilitate efficient synthesis of complex heterocycles and pharmaceutical intermediates.

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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Computational Chemistry Data

TPSA 50.09
LogP 2.10738
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Methyl 4-bromo-2-cyanobenzoate

CAS No. 1223434-15-8

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