3-Bromo-4-iodoaniline

Name: 3-Bromo-4-iodoaniline
Brand: ChemScene
Availability: InStock
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CAS No. 860435-38-7
Cat. No. CS-0088152
Purity≥97%
MDL No.MFCD09753717

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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 860435-38-7

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General Information

CAS No. 860435-38-7
Cat. No. CS-0088152
Purity ≥97%
MDL No. MFCD09753717
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₅BrIN
Molecular Weight 297.92
Synonym(s) 3-Bromo-4-iodobenzenamine
SMILES NC1=CC=C(I)C(Br)=C1

Description

3-Bromo-4-iodoaniline features a dual halogenated aromatic scaffold with bromine at the meta position and iodine at the para position relative to the amino group. This electron-deficient aniline derivative enables direct coupling in cross-coupling reactions, offering site-specific functionalization in pharmaceutical and agrochemical synthesis. The molecule exhibits enhanced stability under standard bench conditions.

Application

3-Bromo-4-iodoaniline serves as a versatile diaryl building block for cross-coupling reactions, enabling efficient access to biaryl scaffolds under Pd-catalyzed conditions. The ortho-bromo and meta-iodo substituents offer complementary reactivity for sequential functionalization, with excellent bench stability and straightforward purification. Its dual halogenation pattern facilitates modular synthesis of complex heterocycles and pharmaceutical intermediates.

Synthesis

Route1
- 591-19-5
- ~98%
- In-stock
  
  860435-38-7
References
- Lee, Sang Ho; Jang, Bo-Bin; Kafafi, Zakya H. Journal of the American Chemical Society, 2005 , vol. 127, # 25 p. 9071 - 9078

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

TPSA 26.02
LogP 2.6359
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Iodide

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Bromo-4-iodoaniline

CAS No. 860435-38-7

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