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ChemicalBook--->CAS DataBase List--->139756-00-6

139756-00-6

139756-00-6 Structure

139756-00-6 Structure
IdentificationBack Directory
[Name]

1-METHYL-4-NITRO-3-PROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
[CAS]

139756-00-6
[Synonyms]

Sildenafil Impurity NA
Methisosildenafil Impurity 15
1-METHYL-4-NITRO-3-PROPYL-1H-PYRAZOL
1-Methyl-4-nitro-3-propyl-1H-pyrazole
2-methyl-4-nitro-5-propylpyrazole-3-carboxylic acid
1-Methyl-2-nitro-3-propyl-1H-pyrazole-5-carboxylic acid
1-METHYL-4-NITRO-3-PROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
2-METHYL-4-NITRO-5-PROPYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
1H-Pyrazole-5-carboxylic acid, 1-methyl-4-nitro-3-propyl-
1-Methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxylic acid ,97%
Sildenafil Impurity 12/Sildenafil Acid Impurity/1-Methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxylic Acid
[EINECS(EC#)]

1806241-263-5
[Molecular Formula]

C8H11N3O4
[MDL Number]

MFCD02110857
[MOL File]

139756-00-6.mol
[Molecular Weight]

213.19
Chemical PropertiesBack Directory
[Melting point ]

124-127 °C
[Boiling point ]

392.7±42.0 °C(Predicted)
[density ]

1.45±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

2.16±0.50(Predicted)
[color ]

Yellow to Orange to Dark Yellow
[InChI]

InChI=1S/C8H11N3O4/c1-3-4-5-6(11(14)15)7(8(12)13)10(2)9-5/h3-4H2,1-2H3,(H,12,13)
[InChIKey]

GFORSNBMYCLGIE-UHFFFAOYSA-N
[SMILES]

N1(C)C(C(O)=O)=C([N+]([O-])=O)C(CCC)=N1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-METHYL-3-PROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER-->ETHYL 2,4-DIOXOHEPTANOATE-->Ethyl 3-n-propylpyrazole-5-carboxylate
[Preparation Products]

1-METHYL-3-PROPYLPYRAZOLE-5-CARBOXYLIC ACID-->1-NITROPYRAZOLE-->1-Methyl-4-nitro-3-propyl-(1H)-pyrazole-5-carboxamide-->1H-Pyrazole-5-carbonyl chloride, 1-methyl-4-nitro-3-propyl-
Hazard InformationBack Directory
[Chemical Properties]

Yellow Solid
[Uses]

Intermediate in the production of Sildenafil.
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