1-(2-Chloro-6-fluorophenyl)ethan-1-one

Name: 1-(2-Chloro-6-fluorophenyl)ethan-1-one
Brand: ChemScene
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CAS No. 87327-69-3
Cat. No. CS-0043763
Purity≥98%
MDL No.MFCD01631390

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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-(2-Chloro-6-fluorophenyl)ethan-1-one|CS-0043763

Structure of 87327-69-3

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General Information

CAS No. 87327-69-3
Cat. No. CS-0043763
Purity ≥98%
MDL No. MFCD01631390
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆ClFO
Molecular Weight 172.58
Synonym(s) 2'-Chloro-6'-fluoroacetophenone
SMILES CC(=O)C1=C(Cl)C=CC=C1F

Description

1-(2-Chloro-6-fluorophenyl)ethan-1-one features a fluorinated aromatic core with orthogonal halogen substituents, enabling selective functionalization in medicinal chemistry. The ketone moiety serves as a key electrophilic handle for nucleophilic addition and coupling reactions under mild conditions. This compound exhibits enhanced metabolic stability and favorable lipophilicity profiles, making it valuable for scaffold elaboration in drug discovery programs targeting CNS and oncology indications.

Application

1-(2-Chloro-6-fluorophenyl)ethan-1-one serves as a key building block in medicinal chemistry, enabling efficient construction of biologically relevant scaffolds. Its aryl ketone functionality exhibits robust stability and compatibility with standard synthetic transformations, including nucleophilic additions and coupling reactions. The ortho-chloro and para-fluoro substituents provide enhanced metabolic stability and tune electronic properties for target-directed design. This compound facilitates straightforward functionalization and purification, making it a practical choice for lead optimization and API intermediate synthesis.

Synthesis

Route1
- 75-36-5
- 133117-45-0
- ~92%
- In-stock
  
  87327-69-3
References
- Bennetau, Bernard; Rajarison, Florent; Dunogues, Jacques; Babin, Pierre Tetrahedron, 1993 , vol. 49, # 47 p. 10843 - 10854
Route2
- 625-98-9
- ~%
- In-stock
  
  87327-69-3
References
- Tetrahedron, , vol. 49, # 47 p. 10843 - 10854

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 2.6817
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(2-Chloro-6-fluorophenyl)ethan-1-one

CAS No. 87327-69-3

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