3-Methyl-4-nitrobenzaldehyde

Name: 3-Methyl-4-nitrobenzaldehyde
Brand: ChemScene
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CAS No. 18515-67-8
Cat. No. CS-W019266
Purity≥96%
MDL No.MFCD08445621

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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 18515-67-8

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Description

3-Methyl-4-nitrobenzaldehyde features a nitro group at the para position relative to the aldehyde, enhancing electrophilicity for nucleophilic addition reactions. The methyl substituent provides steric and electronic modulation, improving solubility and stability under standard conditions. This compound serves as a key building block in pharmaceutical intermediates and functional materials synthesis.

Application

3-Methyl-4-nitrobenzaldehyde serves as a versatile building block in synthetic organic chemistry, enabling the construction of heterocyclic scaffolds and functionalized aromatic systems. Its ortho-directing methyl group and electron-withdrawing nitro substituent enhance electrophilic reactivity while maintaining bench stability. The aldehyde functionality facilitates efficient imine formation, Mannich reactions, and coupling protocols, making it well-suited for medicinal chemistry campaigns and process-scale synthesis.

General Information

CAS No. 18515-67-8
Cat. No. CS-W019266
Purity ≥96%
MDL No. MFCD08445621
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇NO₃
Molecular Weight 165.15
Synonym(s) 5-Formyl-2-nitrotoluene, 4-Formyl-2-methylnitrobenzene
SMILES CC1=C(C=CC(=C1)C=O)[N+](=O)[O-]

Computational Chemistry Data

TPSA 60.21
LogP 1.71572
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

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 Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Methyl-4-nitrobenzaldehyde

CAS No. 18515-67-8

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