1-Bromo-4-(trifluoromethoxy)benzene

Name: 1-Bromo-4-(trifluoromethoxy)benzene
Brand: ChemScene
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CAS No. 407-14-7
Cat. No. CS-W010286
Purity≥97%
MDL No.MFCD00040834

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-Bromo-4-(trifluoromethoxy)benzene|CS-W010286

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General Information

CAS No. 407-14-7
Cat. No. CS-W010286
Purity ≥97%
MDL No. MFCD00040834
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrF₃O
Molecular Weight 241.01
Synonym(s) P-Bromotrifluoromethoxybenzene
SMILES FC(F)(F)OC1=CC=C(Br)C=C1

Description

1-Bromo-4-(trifluoromethoxy)benzene on treatment with lithium diisopropylamide (LIDA) at -100C gives 5-bromo-2-(trifluoromethoxy)phenyllithium and at -75C it eliminates lithium bromide, thus generating 1,2-dehydro-4-(trifluoromethoxy)benzene.1-Bromo-4-(trifluoromethoxy)benzene was used in the synthesis of 4-{[4-[(2-ethylhexyloxy)-6-(4-morpholinylmethyl)-4-trifluoromethyl][1,1-biphenyl]-3-yl]methyl}morpholine.

Application

1-Bromo-4-(trifluoromethoxy)benzene serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions such as Suzuki, Stille, and Negishi couplings. The trifluoromethoxy group imparts enhanced metabolic stability and lipophilicity, making it valuable for medicinal chemistry applications. Its bench-stable nature and compatibility with diverse reaction conditions facilitate efficient synthesis of functionalized aryl scaffolds and complex heterocycles.

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

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Computational Chemistry Data

TPSA 9.23
LogP 3.3477
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Chemical Synthesis Synthetic Reagents Aryne Precursors, Heteroaryne Precursors Benzyne Precursors

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

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1-Bromo-4-(trifluoromethoxy)benzene

CAS No. 407-14-7

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