4,6-Pyrimidinedicarbonitrile

Basic Information

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CAS Number

50844-89-8

Molecular Formula

C6H2N4

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=NC=NC(C#N)=C1

InChI

InChI=1S/C6H2N4/c7-2-5-1-6(3-8)10-4-9-5/h1,4H

InChIKey

SGSGBVWZOXLFHI-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

182

Synonyms & References

English

Pyrimidine-4,6-dicarbonitrile
4,6-PYRIMIDINEDICARBONITRILE
4,6-dicyanopyrimidine
dicyanopyrimidine
4,6-Pyrimidinedicarbonitrile (9CI)
FCH1148697
AK131007
AX8251930
pyrimidine-4,6-dicarbonitrile

MDL Number

MFCD11870748

Customs Code

2933599090

FAQ

What regulatory guidelines apply to 4,6-Pyrimidinedicarbonitrile (CAS: 50844-89-8)?

4,6-Pyrimidinedicarbonitrile (CAS: 50844-89-8) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a toxic substance. In the European Union, it falls under the REACH regulatory framework. Additionally, the FDA and EPA may have specific requirements for its handling, storage, and disposal based on its toxicological properties and potential environmental impact.

Are there alternatives to 4,6-Pyrimidinedicarbonitrile (CAS: 50844-89-8) in synthesis?

There are several alternatives to 4,6-Pyrimidinedicarbonitrile in synthesis, such as 4-cyanopyrimidine and 6-cyanopyrimidine, which can serve as precursors or building blocks. Other common reagents like acetonitrile and cyanamide can also be used as substitutes depending on the specific reaction conditions and desired product.

What is the market or research trend for 4,6-Pyrimidinedicarbonitrile (CAS: 50844-89-8)?

The market for 4,6-Pyrimidinedicarbonitrile (CAS: 50844-89-8) is primarily driven by its applications in the synthesis of drugs and agricultural chemicals. Recent research trends focus on its use as a key intermediate in the production of antioxidants, pesticides, and pharmaceuticals. The market is expected to grow due to increasing demand in the pharmaceutical and agrochemical industries.

How should waste containing 4,6-Pyrimidinedicarbonitrile (CAS: 50844-89-8) be handled?

Waste containing 4,6-Pyrimidinedicarbonitrile (CAS: 50844-89-8) should be collected in an appropriate container and stored separately. Waste should be treated via incineration or other professional waste disposal methods to minimize environmental impact. Proper personal protective equipment (PPE) should be worn during handling, and disposal should comply with local and international regulations to ensure safety and regulatory compliance.