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

Name: 1,4-difluoro-2-methyl-5-nitrobenzene
Brand: ChemScene
Availability: InStock
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CAS No. 141412-60-4
Cat. No. CS-W003263
Purity≥98%
MDL No.MFCD06200905

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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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1,4-difluoro-2-methyl-5-nitrobenzene|CS-W003263

Structure of 141412-60-4

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General Information

CAS No. 141412-60-4
Cat. No. CS-W003263
Purity ≥98%
MDL No. MFCD06200905
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅F₂NO₂
Molecular Weight 173.12
Synonym(s) 2,5-Difluoro-4-methylnitrobenzene
SMILES Fc1cc([N+](=O)[O-])c(cc1C)F

Description

2,5-Difluoro-4-nitrotoluene features a trifunctional aromatic core with two fluorine atoms and a nitro group positioned for orthogonal reactivity. This electron-deficient scaffold enables direct coupling in cross-coupling protocols and serves as a key intermediate in the synthesis of pharmaceuticals and agrochemicals. The molecule exhibits enhanced stability under standard conditions and facilitates selective functionalization at the methyl position.

Application

2,5-Difluoro-4-nitrotoluene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to fluorinated aromatic scaffolds. Its complementary reactivity profile—where the nitro group facilitates electrophilic substitution and the methyl group permits oxidation or functionalization—supports diverse downstream transformations. Bench-stable and readily purified by recrystallization, it functions effectively in standard coupling reactions and heterocycle formation protocols.

Synthesis

Route1
- 452-67-5
- ~76%
- In-stock
  
  141412-60-4
References
- Thornton; Jackman; Marsham; O'Connor; Bishop; Calvert Journal of Medicinal Chemistry, 1992 , vol. 35, # 12 p. 2321 - 2327

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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Computational Chemistry Data

TPSA 43.14
LogP 2.18142
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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

CAS No. 141412-60-4

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