1,2,4-Trifluoro-5-nitrobenzene

Name: 1,2,4-Trifluoro-5-nitrobenzene
Brand: ChemScene
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CAS No. 2105-61-5
Cat. No. CS-W020417
Purity≥98%
MDL No.MFCD00007051

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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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1,2,4-Trifluoro-5-nitrobenzene|CS-W020417

Structure of 2105-61-5

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Description

1,2,4-Trifluoro-5-nitrobenzene is a highly reactive aromatic building block featuring three fluorine atoms and a nitro group positioned for orthogonal functionalization. This electron-deficient scaffold enables efficient coupling reactions in cross-coupling and nucleophilic substitution processes. The molecule exhibits enhanced stability under standard conditions while maintaining high electrophilicity at the para-position relative to the nitro group.

Application

1,2,4-Trifluoro-5-nitrobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient introduction of fluorinated aryl motifs via palladium-catalyzed cross-coupling reactions. Its orthogonal reactivity profile—combining electrophilic fluorine sites with a readily reducible nitro group—facilitates sequential functionalization. Bench-stable and compatible with standard purification methods, it functions reliably in multi-step syntheses requiring selective substitution or heterocycle construction.

General Information

CAS No. 2105-61-5
Cat. No. CS-W020417
Purity ≥98%
MDL No. MFCD00007051
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂F₃NO₂
Molecular Weight 177.08
Synonym(s) Benzene, 1,2,4-trifluoro-5-nitro
SMILES O=[N+](C1=C(F)C=C(F)C(F)=C1)[O-]

Computational Chemistry Data

TPSA 43.14
LogP 2.0121
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2810
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H227-H300-H315-H319-H335
Precautionary Statements : P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P403-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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1,2,4-Trifluoro-5-nitrobenzene

CAS No. 2105-61-5

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