Methyl 3-amino-5-bromobenzoate

Name: Methyl 3-amino-5-bromobenzoate
Brand: ChemScene
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CAS No. 706791-83-5
Cat. No. CS-W019455
Purity≥97%
MDL No.MFCD07786958

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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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Methyl 3-amino-5-bromobenzoate|CS-W019455

Structure of 706791-83-5

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Description

Methyl 3-amino-5-bromobenzoate features a bromine atom at the para position relative to the ester group, conferring enhanced electrophilic reactivity. The amino substituent enables direct functionalization or coupling reactions under mild conditions. This bench-stable, moisture-tolerant compound integrates readily into synthetic pathways for bioactive molecules and advanced materials.

Application

Methyl 3-amino-5-bromobenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis. The ortho-directing amino group enables regioselective functionalization, while the bromine atom supports palladium-catalyzed cross-coupling reactions. Its bench-stable nature and compatibility with standard protecting group strategies facilitate efficient access to complex heterocyclic scaffolds and API intermediates.

General Information

CAS No. 706791-83-5
Cat. No. CS-W019455
Purity ≥97%
MDL No. MFCD07786958
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈BrNO₂
Molecular Weight 230.06
Synonym(s) Benzoic acid,3-amino-5-bromo-, methyl ester
SMILES O=C(OC)C1=CC(Br)=CC(N)=C1

Computational Chemistry Data

TPSA 52.32
LogP 1.8179
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
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 Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 3-amino-5-bromobenzoate

CAS No. 706791-83-5

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