4'-Bromo-2',3'-difluoroacetophenone

Name: 4'-Bromo-2',3'-difluoroacetophenone
Brand: ChemScene
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CAS No. 1007346-28-2
Cat. No. CS-0187988
Purity≥98%
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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4'-Bromo-2',3'-difluoroacetophenone|CS-0187988

Structure of 1007346-28-2

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Description

4'-Bromo-2',3'-difluoroacetophenone features a bromine atom at the 4' position and two fluorine substituents at the 2' and 3' positions on the phenyl ring, creating a highly electron-deficient aryl moiety. This configuration enhances reactivity in cross-coupling transformations and facilitates incorporation into complex molecular architectures requiring precise electronic tuning. The compound exhibits excellent stability under standard handling conditions and is compatible with palladium-catalyzed reactions.

Application

4'-Bromo-2',3'-difluoroacetophenone serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient late-stage functionalization via cross-coupling reactions. The bromo group facilitates Suzuki, Stille, or Negishi coupling, while the ortho-difluoro substitution enhances metabolic stability and modulates electronic properties. Its bench-stable crystalline form allows for straightforward handling and purification, making it ideal for iterative scaffold diversification in target-oriented synthesis.

General Information

CAS No. 1007346-28-2
Cat. No. CS-0187988
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrF₂O
Molecular Weight 235.03
Synonym(s) 1-(4-Bromo-2,3-difluorophenyl)-ethanone
SMILES O=C(C1=CC=C(Br)C(F)=C1F)C

Computational Chemistry Data

TPSA 17.07
LogP 2.9299
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

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-P280-P302+P352

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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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4'-Bromo-2',3'-difluoroacetophenone

CAS No. 1007346-28-2

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