Methyl 3,4-difluorobenzoate

Name: Methyl 3,4-difluorobenzoate
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CAS No. 369-25-5
Cat. No. CS-W017623
Molecule weight172.13
Purity≥98%
MDL No.MFCD00276597

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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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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General Information

CAS No. 369-25-5
Cat. No. CS-W017623
Purity ≥98%
MDL No. MFCD00276597
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆F₂O₂
Molecular Weight 172.13
Synonym(s) Benzoic acid, 3,4-difluoro-, methyl ester
SMILES COC(C1=CC(F)=C(F)C=C1)=O

Description

Methyl 3,4-difluorobenzoate features a fluorinated aromatic core with strategically positioned electron-withdrawing substituents. This bench-stable ester integrates readily into synthetic sequences requiring polar, electron-deficient aryl handles. The para-fluorine enhances metabolic stability in bioactive molecule design, while the methyl ester enables facile derivatization under standard conditions.

Application

Methyl 3,4-difluorobenzoate serves as a versatile building block in medicinal chemistry and synthetic organic chemistry. The ortho-difluoro substitution pattern enhances metabolic stability and modulates electronic properties, while the ester functionality enables straightforward derivatization via hydrolysis, reduction, or coupling reactions. Its bench-stable nature and compatibility with palladium-catalyzed cross-coupling processes make it a practical choice for constructing complex heterocyclic scaffolds and drug-like molecules.

Safety Information

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GHS Pictogram :	GHS No : GHS05,GHS07
Signal Word : Danger	UN#: 1325
Class : 4.1	Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 26.3
LogP 1.7514
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 3,4-difluorobenzoate

CAS No. 369-25-5

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