1-(4-Chlorophenyl)-2,2,2-trifluoroethan-1-one

Name: 1-(4-Chlorophenyl)-2,2,2-trifluoroethan-1-one
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 321-37-9
Cat. No. CS-0097747
Purity≥97%
MDL No.MFCD00018686

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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-Chlorophenyl)-2,2,2-trifluoroethan-1-one|CS-0097747

Structure of 321-37-9

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General Information

CAS No. 321-37-9
Cat. No. CS-0097747
Purity ≥97%
MDL No. MFCD00018686
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄ClF₃O
Molecular Weight 208.56
Synonym(s) 4-Chloro-2,2,2-trifluoroacetophenone
SMILES FC(F)(F)C(C1=CC=C(Cl)C=C1)=O

Description

1-(4-Chlorophenyl)-2,2,2-trifluoroethan-1-one features a trifluoromethyl ketone group flanked by an electron-deficient chlorophenyl ring, enabling efficient coupling in cross-coupling reactions. This bench-stable compound serves as a key building block for fluorinated aromatic synthons in medicinal chemistry and materials science.

Application

1-(4-Chlorophenyl)-2,2,2-trifluoroethan-1-one serves as a valuable building block in synthetic organic chemistry, enabling efficient access to fluorinated aryl ketones and heterocyclic scaffolds. Its trifluoromethyl ketone functionality exhibits high reactivity in nucleophilic additions and condensation reactions, with excellent bench stability and straightforward purification. This compound functions effectively in standard coupling and cyclization protocols, offering predictable reactivity for medicinal chemistry and process development applications.

Synthesis

Route1
- 72487-06-0
- ~83%
- In-stock
  
  321-37-9
- 1373211-64-3
References
- Journal of Fluorine Chemistry, , vol. 137, p. 99 - 104
Route2
- 873-77-8
- 76-05-1
- ~85%
- In-stock
  
  321-37-9
References
- Uno, Hidemitsu; Nibu, Nobumasa; Misobe, Noboru Bulletin of the Chemical Society of Japan, 1999 , vol. 72, # 6 p. 1365 - 1375
Route3
- 72487-06-0
- ~95%
- In-stock
  
  321-37-9
References
- Cheng, Huicheng; Pei, Yu; Leng, Faqiang; Li, Jingya; Liang, Apeng; Zou, Dapeng; Wu, Yangjie; Wu, Yusheng Tetrahedron Letters, 2013 , vol. 54, # 33 p. 4483 - 4486

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 17.07
LogP 3.085
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-(4-Chlorophenyl)-2,2,2-trifluoroethan-1-one

CAS No. 321-37-9

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