2-Bromo-1-(3,4-difluorophenyl)ethanone

Name: 2-Bromo-1-(3,4-difluorophenyl)ethanone
Brand: ChemScene
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CAS No. 40706-98-7
Cat. No. CS-0206457
Purity≥98%
MDL No.MFCD00085010

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-Bromo-1-(3,4-difluorophenyl)ethanone|CS-0206457

Structure of 40706-98-7

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General Information

CAS No. 40706-98-7
Cat. No. CS-0206457
Purity ≥98%
MDL No. MFCD00085010
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrF₂O
Molecular Weight 235.03
Synonym(s) 3,4-difluorophenacyl bromide
SMILES C1=CC(=C(C=C1C(=O)CBr)F)F

Description

2-Bromo-1-(3,4-difluorophenyl)ethanone features a brominated ketone moiety flanked by a 3,4-difluorophenyl group, delivering enhanced electrophilicity and stability under standard conditions. This bench-stable intermediate integrates readily into cross-coupling workflows and serves as a key building block for fluorinated aromatic compounds in medicinal chemistry and materials science.

Application

2-Bromo-1-(3,4-difluorophenyl)ethanone serves as a versatile building block for constructing fluorinated aromatic ketones and heterocyclic scaffolds. Its bromo group enables palladium-catalyzed cross-coupling reactions, while the acetyl functionality supports nucleophilic additions and further functionalization. Bench-stable and readily purified by recrystallization, it functions effectively in synthetic routes requiring ortho-fluoro substitution patterns and offers high compatibility with standard reaction conditions used in medicinal chemistry and process development.

Safety Information

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GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 1759
Class : 8	Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

TPSA 17.07
LogP 2.5424
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 2

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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2-Bromo-1-(3,4-difluorophenyl)ethanone

CAS No. 40706-98-7

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