4-Bromo-2-chloro-1-nitrobenzene

Name: 4-Bromo-2-chloro-1-nitrobenzene
Brand: ChemScene
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CAS No. 89465-97-4
Cat. No. CS-0088444
Purity≥97%
MDL No.MFCD11848538

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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-2-chloro-1-nitrobenzene|CS-0088444

Structure of 89465-97-4

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General Information

CAS No. 89465-97-4
Cat. No. CS-0088444
Purity ≥97%
MDL No. MFCD11848538
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃BrClNO₂
Molecular Weight 236.45
Synonym(s) None
SMILES O=[N+](C1=CC=C(Br)C=C1Cl)[O-]

Description

4-Bromo-2-chloro-1-nitrobenzene is a trifunctional aromatic building block featuring bromine, chlorine, and nitro groups in a defined ortho/meta substitution pattern. This electron-deficient scaffold enables selective cross-coupling reactions and serves as a key intermediate in the synthesis of complex pharmaceuticals and functional materials.

Application

4-Bromo-2-chloro-1-nitrobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling selective functionalization via palladium-catalyzed cross-coupling reactions. The ortho-halogen substitution pattern facilitates sequential transformations, while the nitro group provides a handle for reduction and subsequent heterocycle formation. Bench-stable and compatible with standard purification protocols, it supports scalable synthesis of complex aromatic scaffolds.

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+H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

TPSA 43.14
LogP 3.0107
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Bromo-2-chloro-1-nitrobenzene

CAS No. 89465-97-4

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