3-Bromo-4-formylbenzoic acid

Name: 3-Bromo-4-formylbenzoic acid
Brand: ChemScene
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CAS No. 91760-66-6
Cat. No. CS-W006155
Molecule weight229.03
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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General Information

CAS No. 91760-66-6
Cat. No. CS-W006155
Purity ≥97%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrO₃
Molecular Weight 229.03
Synonym(s) 3-bromo-4-formyl-benzoic acid
SMILES OC(=O)C1=CC(Br)=C(C=O)C=C1

Description

3-Bromo-4-formylbenzoic acid features a formyl group flanked by bromine and carboxylic acid functionalities, enabling direct coupling in cross-coupling reactions. This ortho-substituted aromatic scaffold supports efficient derivatization under standard conditions.

Application

3-Bromo-4-formylbenzoic acid serves as a versatile building block for the synthesis of functionalized aromatic scaffolds, enabling direct incorporation of bromo and formyl groups in downstream transformations. Its compatibility with palladium-catalyzed cross-coupling reactions and selective oxidation/reduction sequences facilitates efficient access to complex molecules. The carboxylic acid group supports derivatization via amide or ester formation, while the formyl moiety permits hydrazone and Schiff base constructions. Bench-stable and readily purified by recrystallization, it functions effectively in both medicinal chemistry and materials science applications.

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 : 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 54.37
LogP 1.9598
H_Acceptors 2
H_Donors 1
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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3-Bromo-4-formylbenzoic acid

CAS No. 91760-66-6

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