2-(2-Hydroxyethyl)-6-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one

Name: 2-(2-Hydroxyethyl)-6-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
Brand: ChemScene
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CAS No. 191096-51-2
Cat. No. CS-0333739
Purity95+%
MDL No.None

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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-(2-Hydroxyethyl)-6-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one|CS-0333739

Structure of 191096-51-2

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General Information

CAS No. 191096-51-2
Cat. No. CS-0333739
Purity 95+%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₀N₂O₅
Molecular Weight 238.20
Synonym(s) 2-(2-Hydroxyethyl)-6-nitro-2H-1,4-benzoxazin-3(4H)-one
SMILES O=[N+]([O-])C1=CC=2NC(C(OC2C=C1)CCO)=O

Synthesis

Route1
- In-stock
  
  5061-21-2
- 99-57-0
- ~%
- 191096-51-2
References
- Calvo, Raul R.; Cheung, Wing S.; Player, Mark R. Patent: US2006/116368 A1, 2006 ; Location in patent: Page/Page column 70; 71 ;
Route2
- 99-57-0
- ~36%
- 191096-51-2
References
- Ortho Pharmaceutical Corporation Patent: US5696117 A1, 1997 ; US 5696117 A

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 101.7
LogP 0.6767
H_Acceptors 5
H_Donors 2
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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2-(2-Hydroxyethyl)-6-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one

CAS No. 191096-51-2

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