4-Bromo-2,5-difluorobenzoic acid

Name: 4-Bromo-2,5-difluorobenzoic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 28314-82-1
Cat. No. CS-W006705
Purity≥97%
MDL No.None

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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*For research and further manufacturing use only, not for direct human use.

4-Bromo-2,5-difluorobenzoic acid|CS-W006705

Structure of 28314-82-1

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General Information

CAS No. 28314-82-1
Cat. No. CS-W006705
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrF₂O₂
Molecular Weight 237.00
Synonym(s) 2,5-Difluoro-4-broMobenzoic acid
SMILES O=C(O)C1=CC(F)=C(Br)C=C1F

Description

4-Bromo-2,5-difluorobenzoic acid features a strategically positioned bromine and two fluorine substituents on the aromatic ring, enabling selective functionalization in cross-coupling reactions. This electron-deficient scaffold integrates readily into pharmaceutical intermediates and advanced materials, offering enhanced metabolic stability and controlled reactivity under standard conditions.

Application

4-Bromo-2,5-difluorobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient late-stage functionalization via cross-coupling reactions. Its orthogonal halogenation pattern—bromine at C4 and fluorines at C2/C5—facilitates selective Pd-catalyzed transformations while maintaining structural stability. The carboxylic acid group supports direct derivatization or incorporation into heterocyclic scaffolds, offering high utility in API development workflows requiring precise regiocontrol and bench-stable intermediates.

Synthesis

Route1
- 124-38-9
- In-stock
  
  327-51-5
- ~85%
- In-stock
  
  28314-82-1
References
- Negoro, Kenji; Yonetoku, Yasuhiro; Misawa-Mukai, Hana; Hamaguchi, Wataru; Maruyama, Tatsuya; Yoshida, Shigeru; Takeuchi, Makoto; Ohta, Mitsuaki Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 17 p. 5235 - 5246
Route2
- 124-38-9
- ~%
- In-stock
  
  28314-82-1
References
- ACHILLION PHARMACEUTICALS, INC. Patent: WO2006/89054 A1, 2006 ; Location in patent: Page/Page column 47-48 ;

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

Quality Control

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Computational Chemistry Data

TPSA 37.3
LogP 2.4255
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Bromo-2,5-difluorobenzoic acid

CAS No. 28314-82-1

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