7-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one

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CAS No. 81721-86-0
Cat. No. CS-0128103
Purity≥95%
MDL No.MFCD00090355

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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+
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7-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one|CS-0128103

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Description

7-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one is a bench-stable, electron-deficient heterocycle featuring a fused oxazine core with a para-nitro group. This configuration enhances reactivity in nucleophilic substitution and facilitates integration into complex molecular architectures. The compound serves as a key intermediate in the synthesis of bioactive molecules and functional materials, particularly where redox-active or polarized moieties are required.

Application

7-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling the construction of bioactive scaffolds through standard functional group manipulations. Its nitro group facilitates downstream transformations such as reduction to an amine or participation in cross-coupling reactions. The oxazinone core exhibits bench stability and compatibility with diverse reaction conditions, supporting efficient synthesis of complex molecules.

General Information

CAS No. 81721-86-0
Cat. No. CS-0128103
Purity ≥95%
MDL No. MFCD00090355
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆N₂O₄
Molecular Weight 194.14
Synonym(s) 7-nitro-2H-1,4-benzoxazin-3(4H)-one
SMILES O=C1COC2=CC([N+]([O-])=O)=CC=C2N1

Computational Chemistry Data

TPSA 81.47
LogP 0.9257
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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