3-Bromo-5-formylbenzoic acid

Name: 3-Bromo-5-formylbenzoic acid
Brand: ChemScene
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CAS No. 398119-27-2
Cat. No. CS-0179637
Molecule weight229.03
Purity≥95%
MDL No.MFCD22544371

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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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Structure of 398119-27-2

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General Information

CAS No. 398119-27-2
Cat. No. CS-0179637
Purity ≥95%
MDL No. MFCD22544371
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-5-forMyl-benzoic acid
SMILES O=C(O)C1=CC(C=O)=CC(Br)=C1

Description

3-Bromo-5-formylbenzoic acid features a strategically positioned formyl group flanked by bromo and carboxylic acid functionalities, enabling direct coupling in cross-coupling or derivatization workflows. This trifunctional scaffold supports rapid access to complex aromatic architectures under standard conditions.

Application

3-Bromo-5-formylbenzoic acid serves as a versatile building block for the synthesis of functionalized aromatic scaffolds, enabling direct incorporation of bromo and formyl groups in sequential transformations. Its compatibility with palladium-catalyzed cross-coupling reactions and selective oxidation or reduction protocols facilitates efficient access to complex molecules. The carboxylic acid group supports derivatization via amide formation or esterification, while the formyl moiety permits further elaboration through condensation or reductive amination, offering broad utility in 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-5-formylbenzoic acid

CAS No. 398119-27-2

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