1-Methyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one

Name: 1-Methyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one
Brand: ChemScene
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CAS No. 206431-05-2
Cat. No. CS-0542205
Purity≥98%
MDL No.MFCD27947148

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-Methyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one|CS-0542205

Structure of 206431-05-2

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General Information

CAS No. 206431-05-2
Cat. No. CS-0542205
Purity ≥98%
MDL No. MFCD27947148
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇N₃O₃
Molecular Weight 193.16
Synonym(s) 6-methanesulfonyl-1-methyl-4-phenyl-1H-pyridin-2-one
SMILES O=C1NC2=CC=C([N+]([O-])=O)C=C2N1C

Synthesis

Route1
- In-stock
  
  5381-79-3
- ~%
- 206431-05-2
References
- Kaiya, Toyo; Aoyama, Shinsuke; Kohda, Kohfuku Bioorganic and Medicinal Chemistry Letters, 1998 , vol. 8, # 6 p. 625 - 630
Route2
- 872277-78-6
- ~%
- 206431-05-2
References
- van Romburgh; Huyser Recueil des Travaux Chimiques des Pays-Bas, 1930 , vol. 49, p. 165,175

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 80.93
LogP 0.7748
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzimidazole compounds

Key Words

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1-Methyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one

CAS No. 206431-05-2

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