3-Bromo-4-chloro-5-methoxyaniline

Name: 3-Bromo-4-chloro-5-methoxyaniline
Brand: ChemScene
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CAS No. 940948-33-4
Cat. No. CS-0179645
Purity≥98%
MDL No.MFCD18089325

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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+
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3-Bromo-4-chloro-5-methoxyaniline|CS-0179645

Structure of 940948-33-4

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General Information

CAS No. 940948-33-4
Cat. No. CS-0179645
Purity ≥98%
MDL No. MFCD18089325
Storage RT, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₇BrClNO
Molecular Weight None
Synonym(s) 3-bromo-4-chloro-5-methoxyphenylamine
SMILES NC1=CC(OC)=C(Cl)C(Br)=C1

Description

3-Bromo-4-chloro-5-methoxyaniline features a halogenated aromatic core with complementary reactive sites for cross-coupling and functionalization. The methoxy group enhances solubility and modulates electronic properties, while the bromo and chloro substituents enable selective derivatization under palladium catalysis. This scaffold supports efficient synthesis of complex heterocycles and bioactive molecules in medicinal chemistry workflows.

Application

3-Bromo-4-chloro-5-methoxyaniline serves as a versatile building block for the synthesis of functionalized heterocycles and pharmaceutical intermediates. Its well-defined substitution pattern enables selective cross-coupling reactions, including Pd-catalyzed Suzuki and Buchwald–Hartwig transformations, with excellent functional group tolerance and bench stability. The molecule's reactivity profile supports efficient access to complex scaffolds in medicinal chemistry and materials science applications.

Synthesis

Route1
- In-stock
  
  13726-14-2
- ~%
- In-stock
  
  940948-33-4
References
- Dong, Han-Qing; Foreman, Kenneth; Li, An-Hu; Mulvihill, Mark Joseph; Panicker, Bijoy; Steinig, Arno G.; Stolz, Kathryn M.; Weng, Qinghua; Jin, Meizhong; Volk, Brian; Wang, Jing; Wang, Ti; Beard, James D. Patent: US2007/129364 A1, 2007 ; Location in patent: Page/Page column 97 ; US 20070129364 A1

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

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Computational Chemistry Data

TPSA 35.25
LogP 2.6933
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Bromo-4-chloro-5-methoxyaniline

CAS No. 940948-33-4

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