Nitro Orotic Acid

CAS Number: 17687-24-0

Molecular Formula: C5H3N3O6

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About Nitro Orotic Acid

5-Nitroorotic acid (CAS 17687-24-0) is increasingly recognized in the United States as a vital component within the API intermediates market, primarily utilized for the synthesis of specialized uracil derivatives and pyrimidine-based therapeutic agents requiring Pharma/API purity of 99%. 1,2,3,6-Tetrahydro-5-nitro-2,6-...

Nitro Orotic Acid Specifications

CAS Number

17687-24-0

Molecular Formula

C5H3N3O6

Molecular Weight

201.09 g/mol

IUPAC Name

5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

Canonical SMILES

C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-]

InChI Key

OPGJGRWULGFTOS-UHFFFAOYSA-N

InChI

InChI=1S/C5H3N3O6/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3/h(H,10,11)(H2,6,7,9,12)

EINECS Number

241-671-1

MDL Number

MFCD00102613

HSN No

29333990

CAS Number

17687-24-0

Molecular Formula

C5H3N3O6

Molecular Weight

201.09 g/mol

IUPAC Name

5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

Canonical SMILES

C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-]

InChI Key

OPGJGRWULGFTOS-UHFFFAOYSA-N

InChI

InChI=1S/C5H3N3O6/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3/h(H,10,11)(H2,6,7,9,12)

EINECS Number

241-671-1

MDL Number

MFCD00102613

HSN No

29333990

Molecular Weight

201.09 g/mol

Boiling Point

432.8±45.0 °C (Predicted)

Density

1.95±0.1 g/cm3 (Predicted)

PSA

94.2 Å²

Average mass

201.09 g/mol

Monoisotopic mass

201.00218482 Da

Molar mass

201.09 g/mol

Precautionary Statement Codes

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Hazard Classes and Categories

Acute Tox. 4 (100%) Skin Irrit. 2 (100%)

Pharmaceutical Intermediate

A key intermediate primarily used in the synthesis of the active pharmaceutical ingredient dipyridamole for the production of medications such as Persantin and Aggrenox to prevent thrombosis, embolic events, and strokes

Organic Synthesis Building Block

A functionalized nitro-substituted pyrimidine derivative utilized in chemical research and industrial processes for the development of complex medicinal compounds and specialty chemicals.