Methyl 4-amino-3,5-difluorobenzoate

Name: Methyl 4-amino-3,5-difluorobenzoate
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CAS No. 1162676-00-7
Cat. No. CS-0049059
Purity≥95%
MDL No.MFCD20725083

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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-amino-3,5-difluorobenzoate|CS-0049059

Structure of 1162676-00-7

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General Information

CAS No. 1162676-00-7
Cat. No. CS-0049059
Purity ≥95%
MDL No. MFCD20725083
Storage RT, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇F₂NO₂
Molecular Weight None
Synonym(s) Benzoic acid, 4-amino-3,5-difluoro-, methyl ester
SMILES COC(=O)C1=CC(F)=C(N)C(F)=C1

Description

Methyl 4-amino-3,5-difluorobenzoate features a strategically positioned amino group flanked by two fluorine atoms, delivering enhanced electron density and metabolic stability. This combination enables efficient incorporation into pharmaceutical intermediates and bioactive scaffolds under standard conditions.

Application

Methyl 4-amino-3,5-difluorobenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis. The ortho-fluorine substituents enhance metabolic stability and modulate electronic properties, while the amino group enables facile derivatization via acylation, alkylation, or diazotization. Its bench-stable nature and compatibility with standard coupling reactions make it ideal for constructing complex heterocyclic scaffolds and peptide-like motifs in high-throughput screening campaigns.

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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Computational Chemistry Data

TPSA 52.32
LogP 1.3336
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Methyl 4-amino-3,5-difluorobenzoate

CAS No. 1162676-00-7

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