1-(4-Bromo-5-fluoro-2-hydroxyphenyl)ethanone

Name: 1-(4-Bromo-5-fluoro-2-hydroxyphenyl)ethanone
Brand: ChemScene
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CAS No. 865449-63-4
Cat. No. CS-0060847
Purity≥96%
MDL No.MFCD11847403

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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-5-fluoro-2-hydroxyphenyl)ethanone|CS-0060847

Structure of 865449-63-4

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General Information

CAS No. 865449-63-4
Cat. No. CS-0060847
Purity ≥96%
MDL No. MFCD11847403
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrFO₂
Molecular Weight 233.04
Synonym(s) None
SMILES CC(=O)C1=CC(=C(C=C1O)Br)F

Description

1-(4-Bromo-5-fluoro-2-hydroxyphenyl)ethanone features a hydroxylated aromatic core with orthogonal halogen substituents, enabling selective functionalization in late-stage derivatization. The ketone moiety provides a reactive handle for nucleophilic addition, while the electron-withdrawing bromo- and fluoro-groups enhance electrophilicity at adjacent positions. This scaffold offers high stability under standard bench conditions and facilitates integration into complex molecular architectures.

Application

1-(4-Bromo-5-fluoro-2-hydroxyphenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling direct incorporation of halogenated phenolic motifs into target molecules. The ketone functionality facilitates nucleophilic addition and enolization, while the ortho-hydroxyl group supports intramolecular coordination or directed functionalization. Its bench-stable nature and compatibility with standard cross-coupling protocols make it well-suited for iterative synthesis of bioactive heterocycles and API intermediates.

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

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Computational Chemistry Data

TPSA 37.3
LogP 2.4964
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

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-5-fluoro-2-hydroxyphenyl)ethanone

CAS No. 865449-63-4

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