2-Amino-3,5-difluorobenzoic acid

Name: 2-Amino-3,5-difluorobenzoic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 126674-78-0
Cat. No. CS-W018686
Molecule weightNone
Purity≥97%
MDL No.MFCD01569541

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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.

2-Amino-3,5-difluorobenzoic acid|CS-W018686

Structure of 126674-78-0

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General Information

CAS No. 126674-78-0
Cat. No. CS-W018686
Purity ≥97%
MDL No. MFCD01569541
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅F₂NO₂
Molecular Weight None
Synonym(s) benzoic acid, 2-amino-3,5-difluoro-
SMILES NC1=C(C(=O)O)C=C(C=C1F)F

Description

2-Amino-3,5-difluorobenzoic acid delivers a trifunctional scaffold featuring an electron-rich amine, two fluorine substituents at meta positions, and a carboxylic acid for conjugation. This combination enables direct incorporation into bioconjugation workflows, peptide synthesis, and medicinal chemistry campaigns requiring enhanced metabolic stability and targeted electronic modulation.

Application

2-Amino-3,5-difluorobenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated heterocycles and bioactive scaffolds. Its ortho-amino and difluorinated aromatic core provides enhanced metabolic stability and modulated electronic properties. The carboxylic acid group facilitates direct coupling reactions, while the amino functionality supports derivatization via acylation, sulfonylation, or diazotization. Bench-stable and readily purified by recrystallization, it functions effectively in standard peptide coupling and transition-metal-catalyzed transformations.

Synthesis

Route1
- In-stock
  
  331765-71-0
- ~97%
- In-stock
  
  126674-78-0
References
- PFIZER INC.; BAILEY, Simon; BURKE, Benjamin, Joseph; COLLINS, Michael, Raymond; CUI, Jingrong, Jean; DEAL, Judith, Gail; HOFFMAN, Robert, Louis; HUANG, Qinhua; JOHNSON, Ted, William; KANIA, Robert, Steven; KATH, John, Charles; LE, Phuong, Thi, Quy; MCTIGUE, Michele, Ann; PALMER, Cynthia, Louise; RICHARDSON, Paul, Francis; SACH, Neal, William Patent: WO2013/132376 A1, 2013 ; Location in patent: Page/Page column 234-235 ;
Route2
- In-stock
  
  455-40-3
- ~%
- In-stock
  
  126674-78-0
References
- WO2013/132376 A1, ;

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 63.32
LogP 1.2452
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Amino-3,5-difluorobenzoic acid

CAS No. 126674-78-0

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