1-(4-Bromo-3-chlorophenyl)ethanone

Name: 1-(4-Bromo-3-chlorophenyl)ethanone
Brand: ChemScene
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CAS No. 3114-31-6
Cat. No. CS-W018645
Purity≥95%
MDL No.MFCD14636445

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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-3-chlorophenyl)ethanone|CS-W018645

Structure of 3114-31-6

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General Information

CAS No. 3114-31-6
Cat. No. CS-W018645
Purity ≥95%
MDL No. MFCD14636445
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrClO
Molecular Weight 233.49
Synonym(s) None
SMILES CC(C1=CC=C(Br)C(Cl)=C1)=O

Description

1-(4-Bromo-3-chlorophenyl)ethanone features a bromo-chloro-substituted aryl core paired with a ketone functionality, enabling direct integration into cross-coupling and electrophilic functionalization workflows. This bench-stable compound serves as a key intermediate for pharmaceutical and agrochemical synthesis, offering predictable reactivity under standard conditions.

Application

1-(4-Bromo-3-chlorophenyl)ethanone serves as a versatile aryl ketone building block for pharmaceutical and agrochemical synthesis. Its ortho-halogenated aromatic core enables palladium-catalyzed cross-coupling reactions, including Suzuki-Miyaura and Buchwald-Hartwig transformations. The molecule exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for multi-step synthetic sequences requiring functional group tolerance and predictable reactivity.

Synthesis

Route1
- In-stock
  
  99-90-1
- ~58%
- In-stock
  
  3114-31-6
References
- Sanofi-Synthelabo Patent: US6908914 B1, 2005 ;
Route2
- 99-02-5
- ~74%
- In-stock
  
  3114-31-6
References
- de Almeida, Leonardo S.; Esteves, Pierre M.; de Mattos, Marcio C.S. Tetrahedron Letters, 2009 , vol. 50, # 25 p. 3001 - 3004
Route3
- 1235711-34-8
- 75-16-1
- ~%
- In-stock
  
  3114-31-6
References
- SYNGENTA PARTICIPATIONS AG; JEANMART, Stephane André Marie; BONVALOT, Damien; PERRUCCIO, Francesca; WENDEBORN, Sebastian Volker; NUSSBAUMER, Hannes; RAJAN, Ramya; TITULAER, Ruud Patent: WO2013/144224 A1, 2013 ; Location in patent: Page/Page column 32-33 ;

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 3.3051
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-3-chlorophenyl)ethanone

CAS No. 3114-31-6

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