Methyl 4-nitrobenzoate

Name: Methyl 4-nitrobenzoate
Brand: ChemScene
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CAS No. 619-50-1
Cat. No. CS-W016003
Purity≥98%
MDL No.MFCD00007350

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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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Description

Methyl 4-nitrobenzoate is a bench-stable, electron-deficient ester featuring a para-nitro group that enhances reactivity in nucleophilic aromatic substitution. This compound integrates readily into synthetic sequences requiring activated aryl systems and serves as a key intermediate in pharmaceutical and agrochemical development.

Application

Methyl 4-nitrobenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aromatic intermediates. Its nitro group facilitates subsequent reductions to aniline derivatives, while the ester moiety supports selective transformations such as hydrolysis or nucleophilic acyl substitution. The compound exhibits excellent bench stability and simplifies purification due to its crystalline nature, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

General Information

CAS No. 619-50-1
Cat. No. CS-W016003
Purity ≥98%
MDL No. MFCD00007350
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇NO₄
Molecular Weight 181.15
Synonym(s) Methyl-p-nitrobenzoate
SMILES O=C(OC)C1=CC=C([N+]([O-])=O)C=C1

Computational Chemistry Data

TPSA 69.44
LogP 1.3814
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

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-P280-P302+P352

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-nitrobenzoate

CAS No. 619-50-1

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