2-Bromo-4-methyl-1-nitrobenzene

Name: 2-Bromo-4-methyl-1-nitrobenzene
Brand: ChemScene
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CAS No. 40385-54-4
Cat. No. CS-0099379
Purity≥98%
MDL No.MFCD00234267

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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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2-Bromo-4-methyl-1-nitrobenzene|CS-0099379

Structure of 40385-54-4

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Description

2-Bromo-4-methyl-1-nitrobenzene features a nitro group at the para position relative to bromine, creating a strongly electron-deficient aromatic system ideal for palladium-catalyzed cross-coupling reactions. The methyl substituent enhances solubility and provides steric control during functionalization. This compound serves as a key intermediate in the synthesis of advanced pharmaceuticals and functional materials.

Application

2-Bromo-4-methyl-1-nitrobenzene serves as a versatile building block in cross-coupling and nucleophilic substitution reactions, enabling efficient construction of substituted biaryls and heterocycles. The bromo group facilitates Pd-catalyzed coupling with broad functional group tolerance, while the nitro and methyl substituents provide orthogonal reactivity for sequential transformations. Bench-stable and readily purified by column chromatography, it functions reliably in synthetic workflows targeting pharmaceutical intermediates and agrochemical scaffolds.

General Information

CAS No. 40385-54-4
Cat. No. CS-0099379
Purity ≥98%
MDL No. MFCD00234267
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-4-Methyl-1-nitro-benzene
SMILES O=[N+]([O-])C1=CC=C(C=C1Br)C

Computational Chemistry Data

TPSA 43.14
LogP 2.66572
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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
Precautionary Statements : P264-P270-P330-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-4-methyl-1-nitrobenzene

CAS No. 40385-54-4

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