2-Bromo-3-nitrotoluene

Name: 2-Bromo-3-nitrotoluene
Brand: ChemScene
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CAS No. 41085-43-2
Cat. No. CS-W002413
Purity≥98%
MDL No.MFCD00134555

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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 41085-43-2

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Description

2-Bromo-3-nitrotoluene features a bromine atom ortho to a nitro group on a methyl-substituted benzene ring, enabling selective coupling reactions. This electron-deficient aromatic scaffold integrates readily into cross-coupling and multistep synthesis workflows, offering enhanced reactivity under standard conditions.

Application

2-Bromo-3-nitrotoluene serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions and facilitating the construction of substituted aromatic scaffolds. Its ortho-bromine and meta-nitro groups offer complementary reactivity for sequential functionalization, with good bench stability and straightforward purification. This compound functions effectively in Suzuki-Miyaura, Stille, and Negishi coupling protocols, making it valuable for medicinal chemistry and materials science applications.

General Information

CAS No. 41085-43-2
Cat. No. CS-W002413
Purity ≥98%
MDL No. MFCD00134555
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆BrNO₂
Molecular Weight 216.03
Synonym(s) 2-bromo-1-methyl-3-nitrobenzene; 2-Bromo-3-nitrotoluene
SMILES [O-][N+](=O)c1cccc(c1Br)C

Computational Chemistry Data

TPSA 43.14
LogP 2.66572
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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-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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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Bromo-3-nitrotoluene

CAS No. 41085-43-2

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