4-Bromo-3-methoxybenzotrifluoride

Name: 4-Bromo-3-methoxybenzotrifluoride
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CAS No. 402-07-3
Cat. No. CS-W012584
Purity≥96%
MDL No.MFCD04115974

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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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4-Bromo-3-methoxybenzotrifluoride|CS-W012584

Structure of 402-07-3

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General Information

CAS No. 402-07-3
Cat. No. CS-W012584
Purity ≥96%
MDL No. MFCD04115974
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrF₃O
Molecular Weight 255.03
Synonym(s) benzene, 1-bromo-2-methoxy-4-(trifluoromethyl)-
SMILES FC(F)(F)C1=CC=C(Br)C(OC)=C1

Description

4-Bromo-3-methoxybenzotrifluoride features a trifluoromethyl group flanked by bromo and methoxy substituents, enabling selective coupling in cross-coupling reactions. This electron-deficient aryl scaffold integrates readily into complex molecular architectures under standard conditions.

Application

4-Bromo-3-methoxybenzotrifluoride serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its stable trifluoromethyl group and reactive bromine handle. The methoxy substituent provides moderate electron donation, enhancing reactivity in Suzuki-Miyaura and Negishi couplings while maintaining bench stability and compatibility with diverse functional groups.

Safety Information

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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 3.4765
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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4-Bromo-3-methoxybenzotrifluoride

CAS No. 402-07-3

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