5-Bromo-3-fluorophthalic acid

Name: 5-Bromo-3-fluorophthalic acid
Brand: ChemScene
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CAS No. 344309-11-1
Cat. No. CS-0504478
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+

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5-Bromo-3-fluorophthalic acid|CS-0504478

Structure of 344309-11-1

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General Information

CAS No. 344309-11-1
Cat. No. CS-0504478
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄BrFO₄
Molecular Weight 263.02
Synonym(s) None
SMILES O=C(O)C1=CC(Br)=CC(F)=C1C(=O)O

Description

5-Bromo-3-fluorophthalic acid features a rigid phthalate core with complementary halogen substituents enabling precise functionalization in synthetic routes. The electron-withdrawing bromo and fluoro groups enhance reactivity at the carboxylic acid sites, facilitating coupling reactions under mild conditions. This compound serves as a key building block for advanced materials and pharmaceutical intermediates requiring orthogonal reactivity.

Application

5-Bromo-3-fluorophthalic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted phthalimides and heterocyclic scaffolds through standard amide formation and cyclization protocols. Its dual halogen functionality provides orthogonal reactivity for cross-coupling and functional group interconversion, while the carboxylic acid groups facilitate direct derivatization or metal complexation. Bench-stable and readily purified by recrystallization, it supports scalable synthesis workflows in medicinal chemistry and materials development.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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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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5-Bromo-3-fluorophthalic acid

CAS No. 344309-11-1

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