3-Bromo-5-fluoro-4-methylaniline

Name: 3-Bromo-5-fluoro-4-methylaniline
Brand: ChemScene
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CAS No. 207110-35-8
Cat. No. CS-W021867
Purity≥98%
MDL No.MFCD12025433

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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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3-Bromo-5-fluoro-4-methylaniline|CS-W021867

Structure of 207110-35-8

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General Information

CAS No. 207110-35-8
Cat. No. CS-W021867
Purity ≥98%
MDL No. MFCD12025433
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₇BrFN
Molecular Weight 204.04
Synonym(s) None
SMILES NC1=CC(F)=C(C)C(Br)=C1

Description

3-Bromo-5-fluoro-4-methylaniline features a strategically positioned bromo and fluoro substituent flanking a methylated aniline core, enabling selective coupling reactions in medicinal chemistry. This electron-deficient aromatic scaffold facilitates efficient cross-coupling under standard conditions, delivering functionalized intermediates with enhanced metabolic stability.

Application

3-Bromo-5-fluoro-4-methylaniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling the construction of substituted anilines via palladium-catalyzed cross-coupling reactions. Its ortho-substituted aryl framework provides enhanced metabolic stability and modulates electronic properties for targeted receptor interactions. The molecule exhibits good bench stability, facilitates straightforward purification, and demonstrates broad functional group tolerance in standard synthetic workflows.

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 26.02
LogP 2.47882
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Bromo-5-fluoro-4-methylaniline

CAS No. 207110-35-8

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