7-Chloro-1H-benzo[d][1,3]oxazine-2,4-dione

Name: 7-Chloro-1H-benzo[d][1,3]oxazine-2,4-dione
Brand: ChemScene
Availability: InStock
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CAS No. 40928-13-0
Cat. No. CS-W015665
Purity≥97%
MDL No.MFCD00090431

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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7-Chloro-1H-benzo[d][1,3]oxazine-2,4-dione|CS-W015665

Structure of 40928-13-0

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Description

7-Chloro-1H-benzo[d][1,3]oxazine-2,4-dione is a heterocyclic compound featuring a chlorine substituent at the 7-position of a fused oxazine core. This electron-deficient scaffold integrates readily into synthetic sequences requiring stable, polarizable ring systems. The molecule exhibits bench-stable behavior and compatibility with diverse reaction conditions.

Application

7-Chloro-1H-benzo[d][1,3]oxazine-2,4-dione serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to substituted benzoxazines via nucleophilic displacement and cyclization reactions. Its chloro substituent at the C7 position enhances electrophilicity for downstream functionalization, while the fused oxazine-dione core provides structural rigidity and metabolic stability. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns in API development.

General Information

CAS No. 40928-13-0
Cat. No. CS-W015665
Purity ≥97%
MDL No. MFCD00090431
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄ClNO₃
Molecular Weight 197.57
Synonym(s) 7-chloro-2H-3,1-benzoxazine-2,4(1H)-dione
SMILES ClC1=CC2=C(C=C1)C(=O)OC(=O)N2

Computational Chemistry Data

TPSA 63.07
LogP 1.1347
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

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-P405-P501

Quality Control

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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7-Chloro-1H-benzo[d][1,3]oxazine-2,4-dione

CAS No. 40928-13-0

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