Methyl 4-amino-3-nitrobenzoate

Name: Methyl 4-amino-3-nitrobenzoate
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CAS No. 3987-92-6
Cat. No. CS-W007745
Purity≥97%
MDL No.MFCD00017562

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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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Methyl 4-amino-3-nitrobenzoate|CS-W007745

Structure of 3987-92-6

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Description

Methyl 4-amino-3-nitrobenzoate features a para-amino group flanked by an ortho-nitro substituent, enabling precise electronic tuning for coupling reactions. This electron-deficient aromatic system integrates readily into synthetic scaffolds requiring controlled reactivity under standard conditions.

Application

Methyl 4-amino-3-nitrobenzoate serves as a versatile synthetic intermediate in heterocyclic and medicinal chemistry. Its complementary amino and nitro groups enable sequential functionalization, facilitating selective reductions, coupling reactions, and ring-forming processes. The methyl ester provides a handle for derivatization, while the molecule exhibits good bench stability and ease of purification—key attributes for scalable synthesis and downstream scaffold construction.

General Information

CAS No. 3987-92-6
Cat. No. CS-W007745
Purity ≥97%
MDL No. MFCD00017562
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈N₂O₄
Molecular Weight 196.16
Synonym(s) Benzoic acid, 4-amino-3-nitro-, methyl ester
SMILES O=C(OC)C1=CC=C(N)C([N+]([O-])=O)=C1

Computational Chemistry Data

TPSA 95.46
LogP 0.9636
H_Acceptors 5
H_Donors 1
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-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 Nitro compounds

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Methyl 4-amino-3-nitrobenzoate

CAS No. 3987-92-6

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