1-(1-Methyl-4-nitro-1h-pyrazol-3-yl)ethan-1-one

Name: 1-(1-Methyl-4-nitro-1h-pyrazol-3-yl)ethan-1-one
Brand: ChemScene
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CAS No. 137890-10-9
Cat. No. CS-0272106
Molecule weight169.14
Purity95+%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
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1-(1-Methyl-4-nitro-1h-pyrazol-3-yl)ethan-1-one|CS-0272106

Structure of 137890-10-9

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General Information

CAS No. 137890-10-9
Cat. No. CS-0272106
Purity 95+%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₇N₃O₃
Molecular Weight 169.14
Synonym(s) 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone
SMILES CC(=O)C1=NN(C)C=C1[N+](=O)[O-]

Synthesis

Route1
- In-stock
  
  137890-04-1
- ~77%
- 137890-10-9
References
- Manaev, Yu. A.; Khrapov, A. V.; Perevalov, V. P. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1991 , vol. 27, # 6 p. 656 - 658 Khimiya Geterotsiklicheskikh Soedinenii, 1991 , vol. 27, # 6 p. 833 - 835
Route2
- In-stock
  
  79080-39-0
- ~%
- 137890-10-9
References
- Manaev, Yu. A.; Khrapov, A. V.; Perevalov, V. P. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1991 , vol. 27, # 6 p. 656 - 658 Khimiya Geterotsiklicheskikh Soedinenii, 1991 , vol. 27, # 6 p. 833 - 835

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 78.03
LogP 0.5309
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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1-(1-Methyl-4-nitro-1h-pyrazol-3-yl)ethan-1-one

CAS No. 137890-10-9

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