3-(4-Nitrophenyl)-1,2,4-oxadiazole

Name: 3-(4-Nitrophenyl)-1,2,4-oxadiazole
Brand: ChemScene
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CAS No. 16013-14-2
Cat. No. CS-0204937
Purity≥98%
MDL No.MFCD00274808

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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3-(4-Nitrophenyl)-1,2,4-oxadiazole|CS-0204937

Structure of 16013-14-2

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Description

3-(4-Nitrophenyl)-1,2,4-oxadiazole features a rigid, electron-deficient oxadiazole core linked to a para-nitrophenyl group, enhancing its utility in conjugated systems. This structure supports efficient charge transfer and stability under standard conditions, making it valuable for materials synthesis and chemical biology applications.

Application

3-(4-Nitrophenyl)-1,2,4-oxadiazole serves as a robust heterocyclic building block for medicinal chemistry and materials science, enabling efficient construction of bioactive scaffolds. Its electron-deficient aromatic system enhances reactivity in nucleophilic substitution and transition-metal-catalyzed coupling reactions. The molecule exhibits excellent bench stability, facilitates straightforward purification via recrystallization, and demonstrates broad functional group tolerance in standard synthetic workflows.

General Information

CAS No. 16013-14-2
Cat. No. CS-0204937
Purity ≥98%
MDL No. MFCD00274808
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅N₃O₃
Molecular Weight 191.14
Synonym(s) 3-(4-nitrophenyl)[1,2,4]oxadiazole
SMILES O=[N+]([O-])C1=CC=C(C2=NOC=N2)C=C1

Computational Chemistry Data

TPSA 82.06
LogP 1.6448
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 2

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Oxadiazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-(4-Nitrophenyl)-1,2,4-oxadiazole

CAS No. 16013-14-2

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