1,2-Dichloro-4-methyl-5-nitrobenzene

Name: 1,2-Dichloro-4-methyl-5-nitrobenzene
Brand: ChemScene
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CAS No. 7494-45-3
Cat. No. CS-0094457
Purity≥97%
MDL No.MFCD01109847

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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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1,2-Dichloro-4-methyl-5-nitrobenzene|CS-0094457

Structure of 7494-45-3

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Description

1,2-Dichloro-4-methyl-5-nitrobenzene features a highly electron-deficient aromatic core stabilized by strong inductive effects from the nitro and chloro groups. This configuration enables direct functionalization at the methyl position under mild conditions, making it ideal for constructing complex heterocycles and advanced intermediates in medicinal chemistry and agrochemical synthesis.

Application

1,2-Dichloro-4-methyl-5-nitrobenzene serves as a versatile building block in heterocyclic synthesis and medicinal chemistry. The ortho-dichloro substitution enables sequential palladium-catalyzed cross-coupling reactions, while the electron-withdrawing nitro group enhances electrophilicity for nucleophilic aromatic substitution. The methyl group provides a handle for oxidation or functionalization, and the compound exhibits bench stability, facilitating handling and purification in multi-step syntheses.

General Information

CAS No. 7494-45-3
Cat. No. CS-0094457
Purity ≥97%
MDL No. MFCD01109847
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅Cl₂NO₂
Molecular Weight 206.03
Synonym(s) 1,2-DICHLORO-4-METHYL-5-NITRO-BENZENE
SMILES O=[N+](C1=C(C)C=C(Cl)C(Cl)=C1)[O-]

Computational Chemistry Data

TPSA 43.14
LogP 3.21002
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 Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1,2-Dichloro-4-methyl-5-nitrobenzene

CAS No. 7494-45-3

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