4-Nitrophthalonitrile, 97%
4-Nitrophthalonitrile, 97%
4-Nitrophthalonitrile, 97%
Thermo Scientific Chemicals

4-Nitrophthalonitrile, 97%

CAS: 31643-49-9 | C8H3N3O2 | 173.13 g/mol
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Catalog number H33546.03
also known as H33546-03
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Chemical Identifiers
CAS31643-49-9
IUPAC Name4-nitrobenzene-1,2-dicarbonitrile
Molecular FormulaC8H3N3O2
InChI KeyNTZMSBAAHBICLE-UHFFFAOYSA-N
SMILES[O-][N+](=O)C1=CC=C(C#N)C(=C1)C#N
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SpecificationsSpecification SheetSpecification Sheet
Melting Point (clear melt)137.5-146.5?C
Appearance (Color)White to pale yellow
Assay (GC)≥96.0%
FormCrystals or powder or crystalline powder
It is used as pharmaceutical intermediate. Benzoylthiophenes are allosteric enhancers (AE) of agonist activity at the A1 adenosine receptor.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
It is used as pharmaceutical intermediate. Benzoylthiophenes are allosteric enhancers (AE) of agonist activity at the A1 adenosine receptor.

Solubility
Sparingly soluble in water.(0.26 g/L) (25°C),

Notes
Store in cool dry place. Ensure proper ventilation. Incompatible with oxidizing agents.
RUO – Research Use Only

General References:

  1. C. Elisabet Tranberg.; Andrea Zickgraf.; Brian N. Giunta.; Henning Luetjens.; Heidi Figler.; Lauren J. Murphree.; Ruediger Falke.; Holger Fleischer.; Joel Linden.; Peter J. Scammells.; Ray. A. Olsson. 2-Amino-3-aroyl-4,5-alkylthiophenes:  Agonist Allosteric Enhancers at Human A1 Adenosine Receptors.J. Med. Chem. 2002, 45 (2),382-389 .
  2. Robert H. Dodd.; Catherine Ouannes.; Malka Robert-Gero.; Pierre Potier. Hybrid molecules: growth inhibition of Leishmania donovani promastigotes by thiosemicarbazones of 3-carboxy-.beta.-carbolines.J. Med. Chem. 1989, 32 (6),1272-1276 .