2-Bromo-5-Fluoroterephthalic acid

Name: 2-Bromo-5-Fluoroterephthalic acid
Brand: ChemScene
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CAS No. 1245807-64-0
Cat. No. CS-0007664
Molecule weight263.02
Purity≥97%
MDL No.MFCD11616082

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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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2-Bromo-5-Fluoroterephthalic acid|CS-0007664

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General Information

CAS No. 1245807-64-0
Cat. No. CS-0007664
Purity ≥97%
MDL No. MFCD11616082
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄BrFO₄
Molecular Weight 263.02
Synonym(s) 2-bromo-5-fluoro terephthalic acid
SMILES O=C(C1=CC(F)=C(C(O)=O)C=C1Br)O

Description

2-Bromo-5-Fluoroterephthalic acid features a rigid aromatic core functionalized with bromo and fluoro substituents at meta positions, enabling selective coupling reactions. This electron-deficient diacid scaffold facilitates efficient integration into metal-organic frameworks and conjugated polymers under standard conditions.

Application

2-Bromo-5-fluoroterephthalic acid serves as a versatile building block for the synthesis of functionalized aromatic scaffolds, enabling palladium-catalyzed cross-coupling reactions and heterocycle construction. Its dual halogenation pattern offers orthogonal reactivity for sequential transformations, while the carboxylic acid groups facilitate direct amidation or esterification. The compound exhibits excellent bench stability and is readily purified by recrystallization, making it ideal for scalable medicinal chemistry and materials applications.

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-P280-P302+P352

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Computational Chemistry Data

TPSA 74.6
LogP 1.9846
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 2

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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2-Bromo-5-Fluoroterephthalic acid

CAS No. 1245807-64-0

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