2-Fluoroterephthalic acid

Name: 2-Fluoroterephthalic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 3906-87-4
Cat. No. CS-W006938
Purity≥98%
MDL No.MFCD03407274

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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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Structure of 3906-87-4

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General Information

CAS No. 3906-87-4
Cat. No. CS-W006938
Purity ≥98%
MDL No. MFCD03407274
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅FO₄
Molecular Weight 184.12
Synonym(s) None
SMILES O=C(O)C1=CC=C(C(=O)O)C(F)=C1

Description

2-Fluoroterephthalic acid is a fluorinated aromatic dicarboxylic acid featuring two carboxyl groups positioned para to each other on a benzene ring, with a fluorine atom at the ortho position relative to one carboxyl. This electron-withdrawing fluorine imparts enhanced polarity and stability, enabling its use in constructing functionalized polymers and metal-organic frameworks. The compound exhibits good solubility in polar solvents and maintains integrity under standard bench conditions.

Application

2-Fluoroterephthalic acid serves as a versatile building block in the synthesis of functionalized aromatic polymers and pharmaceutical intermediates. Its ortho-fluoro substitution enables directed metalation and subsequent C–H functionalization, while the carboxylic acid groups facilitate coupling reactions under standard conditions. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for iterative synthetic workflows in medicinal chemistry and materials science.

Synthesis

Route1
- In-stock
  
  5292-47-7
- ~92%
- In-stock
  
  3906-87-4
References
- Lammert, Martin; Bernt, Stephan; Vermoortele, Frederik; De Vos, Dirk E.; Stock, Norbert Inorganic Chemistry, 2013 , vol. 52, # 15 p. 8521 - 8528
Route2
- 7647-01-0
- 7722-64-7
- In-stock
  
  350-28-7
- ~49%
- In-stock
  
  3906-87-4
References
- Liang, Weibin; Babarao, Ravichandar; D'Alessandro, Deanna M. Inorganic Chemistry, 2013 , vol. 52, # 22 p. 12878 - 12880

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

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Computational Chemistry Data

TPSA 74.6
LogP 1.2221
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Material Science Polymer/Macromolecule Reagents Metal Organic Frameworks (MOF) Raw Materials Organic Linker Molecules

Material Science Organic-Inorganic Hybrid Materials Metal Organic Frameworks (MOF) Raw Materials Organic Linker Molecules

Key Words

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2-Fluoroterephthalic acid

CAS No. 3906-87-4

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