1-Methyl-2-nitro-4-(trifluoromethyl)benzene

Name: 1-Methyl-2-nitro-4-(trifluoromethyl)benzene
Brand: ChemScene
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CAS No. 65754-26-9
Cat. No. CS-W021351
Purity≥98%
MDL No.MFCD00272402

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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-Methyl-2-nitro-4-(trifluoromethyl)benzene|CS-W021351

Structure of 65754-26-9

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Description

1-Methyl-2-nitro-4-(trifluoromethyl)benzene features a trifluoromethyl group that imparts strong electron-withdrawal and enhanced metabolic stability, while the nitro substituent enables direct functionalization in cross-coupling reactions. This bench-stable aromatic scaffold integrates readily into complex molecular architectures requiring high polarity and controlled reactivity.

Application

1-Methyl-2-nitro-4-(trifluoromethyl)benzene serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted aromatic systems. Its electron-deficient aryl core facilitates electrophilic substitution and transition-metal-catalyzed coupling reactions. The nitro group allows for selective reduction to an amine, while the trifluoromethyl moiety enhances metabolic stability and modulates electronic properties—key attributes in medicinal chemistry scaffolds. Bench-stable and readily purified by recrystallization or chromatography, it functions effectively in multi-step syntheses requiring orthogonal functional group handling.

General Information

CAS No. 65754-26-9
Cat. No. CS-W021351
Purity ≥98%
MDL No. MFCD00272402
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆F₃NO₂
Molecular Weight 205.13
Synonym(s) benzene, 1-methyl-2-nitro-4-(trifluoromethyl)-
SMILES [N+](=O)([O-])C1=C(C=CC(=C1)C(F)(F)F)C

Computational Chemistry Data

TPSA 43.14
LogP 2.92202
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 Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Methyl-2-nitro-4-(trifluoromethyl)benzene

CAS No. 65754-26-9

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