1-Bromo-4-methoxy-2-(trifluoromethyl)benzene

Name: 1-Bromo-4-methoxy-2-(trifluoromethyl)benzene
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 400-72-6
Cat. No. CS-W012583
Purity≥98%
MDL No.MFCD08059527

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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+
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1-Bromo-4-methoxy-2-(trifluoromethyl)benzene|CS-W012583

Structure of 400-72-6

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General Information

CAS No. 400-72-6
Cat. No. CS-W012583
Purity ≥98%
MDL No. MFCD08059527
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrF₃O
Molecular Weight 255.03
Synonym(s) 4-Bromo-3-(trifluoromethyl)phenyl methyl ether
SMILES FC(C1=CC(OC)=CC=C1Br)(F)F

Description

1-Bromo-4-methoxy-2-(trifluoromethyl)benzene features a trifluoromethyl group that enhances electron deficiency and metabolic stability, while the methoxy substituent provides moderate electron donation. This ortho-disubstituted aryl bromide enables efficient cross-coupling reactions under standard conditions, delivering complex aromatic architectures with high functional group tolerance.

Application

1-Bromo-4-methoxy-2-(trifluoromethyl)benzene serves as a versatile aryl halide building block for Suzuki-Miyaura and Stille couplings, enabling efficient construction of biaryl and heteroaryl scaffolds. The methoxy and trifluoromethyl groups provide orthogonal electronic modulation and enhanced metabolic stability, while the bromine facilitates reliable cross-coupling under standard conditions. Bench-stable and amenable to straightforward purification, it supports scalable synthesis in medicinal chemistry and materials science applications.

Synthesis

Route1
- In-stock
  
  454-90-0
- ~%
- In-stock
  
  400-72-6
References
- Tietze, Lutz F.; Vock, Carsten A.; Krimmelbein, Ilga K.; Nacke, Linda Synthesis, 2009 , # 12 art. no. T20108SS, p. 2040 - 2060
Route2
- In-stock
  
  320-49-0
- 74-88-4
- ~%
- In-stock
  
  400-72-6
References
- Showa Shell Sekiyu Kabushiki Kaisha Patent: EP423991 A2, 1991 ;

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 9.23
LogP 3.4765
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Bromo-4-methoxy-2-(trifluoromethyl)benzene

CAS No. 400-72-6

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