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1-Methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxylic acid-[d3]

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General Information
Catalog: BLP-006461
CAS: 526203-29-2
Molecular Formula: C8H8D3N3O4
Molecular Weight: 216.21

Chemical Structure

Description	1-Methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxylic acid-[d3] is the labelled analogue of 1-Methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxylic acid, which is an intermediate in the production of Sildenafil.
Synonyms	1-(Methyl-D3)-4-nitro-3-propyl-1H-pyrazole-5-carboxylic Acid; 1-Methyl-2-nitro-3-propyl-1H-pyrazole-5-carboxylic acid-d3; d3-2-methyl-4-nitro-5-propyl-2H-pyrazole-3-carboxylic acid
IUPAC Name	4-nitro-5-propyl-2-(trideuteriomethyl)pyrazole-3-carboxylic acid
Related CAS	139756-00-6 (unlabelled)
Canonical SMILES	CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)O)C
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)/i2D3
InChI Key	GFORSNBMYCLGIE-BMSJAHLVSA-N
Melting Point	120-122°C
Purity	98%
Solubility	Slightly soluble in DMSO, Methanol
Appearance	Pale Beige Solid
Storage	Store at 2-8°C