1-(4-Bromo-2,6-difluorophenyl)ethanone

Name: 1-(4-Bromo-2,6-difluorophenyl)ethanone
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CAS No. 746630-34-2
Cat. No. CS-W007022
Purity≥95%
MDL No.MFCD22570410

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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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1-(4-Bromo-2,6-difluorophenyl)ethanone|CS-W007022

Structure of 746630-34-2

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General Information

CAS No. 746630-34-2
Cat. No. CS-W007022
Purity ≥95%
MDL No. MFCD22570410
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrF₂O
Molecular Weight 235.03
Synonym(s) (2E)-3-(5-methyl-49-furyl)acrylic acid
SMILES CC(C1=C(F)C=C(Br)C=C1F)=O

Description

1-(4-Bromo-2,6-difluorophenyl)ethanone features a bromo-substituted, electron-deficient aromatic ring paired with a reactive ketone group. This combination enables direct incorporation into coupling reactions and serves as a key building block in medicinal chemistry for constructing complex heterocyclic scaffolds under standard conditions.

Application

1-(4-Bromo-2,6-difluorophenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient construction of biologically relevant scaffolds. Its bromine and difluoro substituents provide orthogonal handles for palladium-catalyzed cross-coupling and electrophilic functionalization. The ketone group facilitates nucleophilic additions and enolization reactions, while the molecule exhibits excellent bench stability and ease of purification, making it well-suited for multi-step synthesis and process development workflows.

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 17.07
LogP 2.9299
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(4-Bromo-2,6-difluorophenyl)ethanone

CAS No. 746630-34-2

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