3-Bromo-2,6-difluorobenzaldehyde

Name: 3-Bromo-2,6-difluorobenzaldehyde
Brand: ChemScene
Availability: InStock
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CAS No. 398456-82-1
Cat. No. CS-0146396
Purity≥98%
MDL No.MFCD08282773

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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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3-Bromo-2,6-difluorobenzaldehyde|CS-0146396

Structure of 398456-82-1

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General Information

CAS No. 398456-82-1
Cat. No. CS-0146396
Purity ≥98%
MDL No. MFCD08282773
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrF₂O
Molecular Weight 221.00
Synonym(s) None
SMILES BrC(C=CC(F)=C1C=O)=C1F

Description

3-Bromo-2,6-difluorobenzaldehyde features a strategically positioned aldehyde group flanked by bromine and two fluorine atoms, enabling direct functionalization in cross-coupling reactions. This electron-deficient aromatic scaffold delivers enhanced reactivity and stability under standard conditions, facilitating efficient integration into complex molecular architectures.

Application

3-Bromo-2,6-difluorobenzaldehyde serves as a versatile building block for the synthesis of fluorinated aromatic scaffolds in medicinal chemistry and agrochemical development. Its ortho-fluoro substitution enhances electrophilic reactivity while maintaining stability under standard reaction conditions. The aldehyde group enables direct coupling reactions, nucleophilic additions, and imine formation, with the bromo substituent facilitating subsequent cross-coupling transformations. This compound offers predictable regiochemistry and excellent functional group tolerance, making it well-suited for modular synthesis workflows.

Synthesis

Route1
- In-stock
  
  348-57-2
- 68-12-2
- ~31%
- In-stock
  
  398456-82-1
References
- US2010/41891 A1, ; Page/Page column 62 ; US 20100041891 A1
Route2
- In-stock
  
  348-57-2
- ~%
- In-stock
  
  398456-82-1
References
- US2004/122001 A1, ; US 20040122001 A1

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

Quality Control

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Computational Chemistry Data

TPSA 17.07
LogP 2.5398
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Bromo-2,6-difluorobenzaldehyde

CAS No. 398456-82-1

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