1H-Pyrazole-3,5-dicarbonitrile

Basic Information

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CAS Number

847573-68-6

Molecular Formula

C5H2N4

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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N#CC1=NNC(C#N)=C1

InChI

InChI=1S/C5H2N4/c6-2-4-1-5(3-7)9-8-4/h1H,(H,8,9)

InChIKey

LBSASQXIHJDQCN-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

192

Synonyms & References

English

1H-PYRAZOLE-3,5-DICARBONITRILE
3,5-Dicyano-1H-pyrazole
FCH2910551
AK174608
1H-pyrazole-3,5-dicarbonitrile

MDL Number

MFCD28168072

FAQ

What is 1H-Pyrazole-3,5-dicarbonitrile (CAS: 847573-68-6)?

1H-Pyrazole-3,5-dicarbonitrile is an organic compound with the CAS number 847573-68-6. It is a white or off-white solid with a molecular formula of C5H2N4O2. This compound has a distinctive odor and is commonly used in pharmaceuticals and organic synthesis.

What are the main uses of 1H-Pyrazole-3,5-dicarbonitrile (CAS: 847573-68-6)?

1H-Pyrazole-3,5-dicarbonitrile is primarily used in pharmaceuticals for the synthesis of antiviral and antibacterial agents. It is also used in organic synthesis as a versatile building block for preparing a variety of compounds. Additionally, it is occasionally used in research for developing new materials and drug candidates.

Is 1H-Pyrazole-3,5-dicarbonitrile (CAS: 847573-68-6) safe?

1H-Pyrazole-3,5-dicarbonitrile is generally safe when handled with proper precautions. However, it is important to wear appropriate personal protective equipment (PPE) such as gloves and goggles. It should be stored in a well-ventilated area away from heat and ignition sources. Avoid inhalation and skin contact.

How should 1H-Pyrazole-3,5-dicarbonitrile (CAS: 847573-68-6) be stored?

1H-Pyrazole-3,5-dicarbonitrile should be stored in a cool, dry place away from heat and ignition sources. It should be kept in tightly sealed containers to minimize exposure to air and moisture. Store it in a well-ventilated area and avoid direct sunlight. Handle with care to prevent spillage and ensure proper disposal.