1-Chloro-4-(difluoromethyl)benzene

Name: 1-Chloro-4-(difluoromethyl)benzene
Brand: ChemScene
Availability: InStock
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CAS No. 43141-66-8
Cat. No. CS-0157551
Purity≥97%
MDL No.None

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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-Chloro-4-(difluoromethyl)benzene|CS-0157551

Structure of 43141-66-8

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General Information

CAS No. 43141-66-8
Cat. No. CS-0157551
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅ClF₂
Molecular Weight 162.56
Synonym(s) p-Chlorbenzylidenfluorid
SMILES C1=C(C=CC(=C1)Cl)C(F)F

Description

1-Chloro-4-(difluoromethyl)benzene features a para-substituted difluoromethyl group that imparts enhanced electron-withdrawal and metabolic stability. This aryl halide integrates readily into cross-coupling reactions, serving as a key building block for fluorinated aromatic scaffolds in medicinal chemistry and materials science.

Application

1-Chloro-4-(difluoromethyl)benzene serves as a versatile building block in medicinal chemistry, enabling direct incorporation of a difluoromethyl group into aromatic scaffolds. The chloro substituent facilitates palladium-catalyzed cross-coupling reactions, while the difluoromethyl moiety imparts enhanced metabolic stability and modulates lipophilicity. Its bench-stable nature and compatibility with standard synthetic protocols make it ideal for constructing bioactive heterocycles and pharmaceutical intermediates.

Synthesis

Route1
- In-stock
  
  104-88-1
- ~91%
- In-stock
  
  43141-66-8
References
- Singh, Rajendra P.; Chakraborty, Debashis; Shreeve, Jean'Ne M. Journal of Fluorine Chemistry, 2001 , vol. 111, # 2 p. 153 - 160
Route2
- In-stock
  
  637-87-6
- 1438388-96-5
- ~50%
- In-stock
  
  43141-66-8
References
- Prakash, G. K. Surya; Ganesh, Somesh K.; Jones, John-Paul; Kulkarni, Aditya; Masood, Kamil; Swabeck, Joseph K.; Olah, George A. Angewandte Chemie - International Edition, 2012 , vol. 51, # 48 p. 12090 - 12094 Angew. Chem., 2012 , vol. 124, # 48 p. 12256 - 12260,5
Route3
- In-stock
  
  106-39-8
- In-stock
  
  395-01-7
- ~96%
- In-stock
  
  43141-66-8
References
- Ge, Shaozhong; Chaladaj, Wojciech; Hartwig, John F. Journal of the American Chemical Society, 2014 , vol. 136, # 11 p. 4149 - 4152

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H227-H315-H319-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 0
LogP 3.2776
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Chloro-4-(difluoromethyl)benzene

CAS No. 43141-66-8

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