1-Bromo-3-chloro-2-nitrobenzene

Name: 1-Bromo-3-chloro-2-nitrobenzene
Brand: ChemScene
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CAS No. 59772-48-4
Cat. No. CS-0041699
Molecule weight236.45
Purity≥96%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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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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1-Bromo-3-chloro-2-nitrobenzene|CS-0041699

Structure of 59772-48-4

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General Information

CAS No. 59772-48-4
Cat. No. CS-0041699
Purity ≥96%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃BrClNO₂
Molecular Weight 236.45
Synonym(s) 2-chloro-6-bromo-nitrobenzene
SMILES O=[N+](C1=C(Cl)C=CC=C1Br)[O-]

Description

1-Bromo-3-chloro-2-nitrobenzene features a trifunctional aromatic core with distinct halogen and nitro substituents, enabling selective cross-coupling and electrophilic substitution. The ortho-nitro group enhances reactivity in palladium-catalyzed transformations, while the meta-halogen spacing ensures regioselective functionalization. This bench-stable compound serves as a key intermediate in pharmaceutical and agrochemical synthesis.

Application

1-Bromo-3-chloro-2-nitrobenzene serves as a versatile building block in aromatic synthesis, enabling sequential functionalization via palladium-catalyzed cross-coupling and nucleophilic substitution. The ortho-nitro group directs electrophilic substitution and enhances reactivity in metal-mediated transformations. Its bench-stable nature and compatibility with diverse reaction conditions facilitate efficient access to substituted heterocycles and advanced intermediates for medicinal chemistry applications.

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-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 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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1-Bromo-3-chloro-2-nitrobenzene

CAS No. 59772-48-4

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