1-Bromo-4-(trifluoromethyl)benzene

Name: 1-Bromo-4-(trifluoromethyl)benzene
Brand: ChemScene
Availability: InStock
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CAS No. 402-43-7
Cat. No. CS-W014220
Purity≥98%
MDL No.MFCD00000398

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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-Bromo-4-(trifluoromethyl)benzene|CS-W014220

Structure of 402-43-7

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General Information

CAS No. 402-43-7
Cat. No. CS-W014220
Purity ≥98%
MDL No. MFCD00000398
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrF₃
Molecular Weight 225.01
Synonym(s) 4-Bromo-α,α,α-trifluorotoluene
SMILES FC(F)(F)C1=CC=C(Br)C=C1

Description

4-Bromobenzotrifluoride was used to study the catalytic activity of palladacycle using Suzuki-Miyaura reaction.

Application

1-Bromo-4-(trifluoromethyl)benzene serves as a versatile aryl halide building block in cross-coupling reactions, enabling efficient construction of biaryl scaffolds under standard Pd-catalyzed conditions. The trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, making it valuable in medicinal chemistry. Bench-stable and readily purified by distillation, it exhibits good functional group tolerance and reacts predictably with boronic acids, stannanes, and organozinc reagents.

Synthesis

Route1
- In-stock
  
  5467-74-3
- In-stock
  
  81290-20-2
- ~69%
- In-stock
  
  402-43-7
References
- Chu, Lingling; Qing, Feng-Ling Organic Letters, 2010 , vol. 12, # 21 p. 5060 - 5063
Route2
- 206753-28-8
- ~99%
- In-stock
  
  402-43-7
References
- Ochiai, Masahito; Yoshimura, Akira; Miyamoto, Kazunori Tetrahedron Letters, 2009 , vol. 50, # 33 p. 4792 - 4795
Route3
- In-stock
  
  913574-93-3
- ~49%
- In-stock
  
  402-43-7
References
- Mizuta, Satoshi; Stenhagen, Ida S.R.; O'Duill, Miriam; Wolstenhulme, Jamie; Kirjavainen, Anna K.; Forsback, Sarita J.; Tredwell, Matthew; Sandford, Graham; Moore, Peter R.; Huiban, Mickael; Luthra, Sajinder K.; Passchier, Jan; Solin, Olof; Gouverneur, Veronique Organic Letters, 2013 , vol. 15, # 11 p. 2648 - 2651

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS02,GHS07
Signal Word : Warning	UN#: 1993
Class : 3	Packing Group : Ⅲ
Hazard Statements : H226-H315-H319
Precautionary Statements : P210-P302+P352

Quality Control

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Computational Chemistry Data

TPSA 0
LogP 3.4679
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Material Science Material Building Blocks Liquid Crystal (LC) Building Blocks Bromobenzenes

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1-Bromo-4-(trifluoromethyl)benzene

CAS No. 402-43-7

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