2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one

Name: 2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one
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CAS No. 57463-01-1
Cat. No. CS-0204622
Molecule weight208.17
Purity≥98%
MDL No.MFCD03931830

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Type	HazMat Fee
Excepted Quantity	$0.00
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2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one|CS-0204622

Structure of 57463-01-1

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General Information

CAS No. 57463-01-1
Cat. No. CS-0204622
Purity ≥98%
MDL No. MFCD03931830
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈N₂O₄
Molecular Weight 208.17
Synonym(s) 2-Methyl-6-nitro-2H-benzo[B][1,4]oxazin-3(4H)-one
SMILES O=C1NC2=CC(=CC=C2OC1C)N(=O)=O

Synthesis

Route1
- 535-11-5
- 99-57-0
- ~84%
- 57463-01-1
References
- Dai, Wei-Min; Wang, Xuan; Ma, Chen Tetrahedron, 2005 , vol. 61, # 28 p. 6879 - 6885
Route2
- 563-76-8
- 99-57-0
- ~%
- 57463-01-1
References
- Koltun, Dmitry O.; Zilbershtein, Timur M.; Migulin, Vasily A.; Vasilevich, Natalya I.; Parkhill, Eric Q.; Glushkov, Andrei I.; McGregor, Malcolm J.; Brunn, Sandra A.; Chu, Nancy; Hao, Jia; Mollova, Nevena; Leung, Kwan; Chisholm, Jeffrey W.; Zablocki, Jeff Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 15 p. 4070 - 4074

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 81.47
LogP 1.3142
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one

CAS No. 57463-01-1

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Synthesis

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