Methyl 2-Amino-3-nitrobenzoate

CAS No. 57113-91-4
Cat. No. CS-0007684
Purity≥98%
MDL No.MFCD02093531

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Methyl 2-Amino-3-nitrobenzoate|CS-0007684

Structure of 57113-91-4

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Description

Methyl 2-Amino-3-nitrobenzoate features a strategically positioned nitro group and amino functionality on a benzene ring, enabling its use in the synthesis of bioactive heterocycles. The electron-deficient aromatic core facilitates electrophilic substitution, while the methyl ester offers a handle for further derivatization. This compound serves as a key intermediate in medicinal chemistry campaigns targeting kinase inhibitors and antimicrobial agents.

General Information

CAS No. 57113-91-4
Cat. No. CS-0007684
Purity ≥98%
MDL No. MFCD02093531
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈N₂O₄
Molecular Weight 196.16
Synonym(s) Methyl 3-Nitroanthranilate
SMILES O=C(OC)C1=CC=CC([N+]([O-])=O)=C1N

Computational Chemistry Data

TPSA 95.46
LogP 0.9636
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 2

Safety Information

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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 2-Amino-3-nitrobenzoate

CAS No. 57113-91-4

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