3-Bromo-2,6-difluoroaniline

Name: 3-Bromo-2,6-difluoroaniline
Brand: ChemScene
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CAS No. 1262198-07-1
Cat. No. CS-0107185
Purity≥97%
MDL No.MFCD22627833

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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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Structure of 1262198-07-1

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General Information

CAS No. 1262198-07-1
Cat. No. CS-0107185
Purity ≥97%
MDL No. MFCD22627833
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄BrF₂N
Molecular Weight 208.00
Synonym(s) None
SMILES NC1=C(F)C=CC(Br)=C1F

Description

3-Bromo-2,6-difluoroaniline features a trifluorinated aromatic core with strategic halogen placement enabling selective coupling reactions. The ortho-fluoro groups enhance electrophilic substitution reactivity, while the bromine serves as a high-utility handle for palladium-catalyzed cross-couplings. This bench-stable compound integrates readily into complex molecular architectures under standard conditions.

Application

3-Bromo-2,6-difluoroaniline serves as a versatile building block for medicinal chemistry and agrochemical synthesis, offering orthogonal reactivity through its bromo and difluoro substituents. The molecule exhibits excellent bench stability and facilitates palladium-catalyzed cross-coupling reactions, enabling efficient access to complex biaryl scaffolds. Its defined electronic profile enhances regioselectivity in subsequent functionalizations, while the presence of multiple polar handles simplifies purification and downstream derivatization.

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P280-P304+P340-P405-P501

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Computational Chemistry Data

TPSA 26.02
LogP 2.3095
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-2,6-difluoroaniline

CAS No. 1262198-07-1

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