4-(2-Methyl-2-propanyl)phthalonitrile

Basic Information

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CAS Number

32703-80-3

Molecular Formula

C12H12N2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

58.0 to 62.0 deg-C

Boiling Point

165°C/6mmHg

Flash Point

152.7°C

Solubility

Insuluble (5.5E-3 g/L) (25 ºC),

Refractive Index

1.6266 (estimate)

SMILES

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N#Cc1cc(ccc1C#N)C(C)(C)C

InChI

InChI=1S/C12H12N2/c1-12(2,3)11-5-4-9(7-13)10(6-11)8-14/h4-6H,1-3H3

InChIKey

LOTMIRVNJTVTSU-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

293

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4-(tert-Butyl)phthalonitrile
SALOR-INT L161683-1EA
4-TERT-BUTYLPHTALONITRILE
4-TERT-BUTYLPHTHALONITRILE
4-tert-Butylphthalodinitrile
4-TERT-BUTYL-1,2-DICYANOBENZENE
4-tert-Butylbenzene-1,2-dicarbonitrile
4-tert-Butyl-1,2-benzenedicarbonitrile
4-(1,1-dimethylethyl)benzene-1,2-dicarbonitrile
1,2-dicyano-4-tert-butylbenzene
4-tert-butyl-o-phthalodinitrile
4-tert-Butyl-1,2-dicyanobenzene

MDL Number

MFCD00060112

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 4-(2-Methyl-2-propanyl)phthalonitrile (CAS: 32703-80-3)?

4-(2-Methyl-2-propanyl)phthalonitrile (CAS: 32703-80-3) should comply with the global chemicals regulations such as the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the EU, and FDA and EPA requirements in the U.S. Ensuring proper hazard communication, storage, and disposal practices is crucial for compliance and safety.

Are there alternatives to 4-(2-Methyl-2-propanyl)phthalonitrile (CAS: 32703-80-3) in synthesis?

Yes, alternatives to 4-(2-Methyl-2-propanyl)phthalonitrile (CAS: 32703-80-3) include phthalonitriles with different substituents and similar functional groups. Common substitutes include other phthalonitriles, such as 1,4-bis(2-methylphthalonitrile) and 2,3-dimethylphthalonitrile, which can be used depending on the specific application and desired properties.

What is the market or research trend for 4-(2-Methyl-2-propanyl)phthalonitrile (CAS: 32703-80-3)?

The market and research for 4-(2-Methyl-2-propanyl)phthalonitrile (CAS: 32703-80-3) is primarily focused on its applications in photovoltaic materials and organic light-emitting diodes (OLEDs). Research trends include developing more efficient and stable materials for electronic devices, with a growing interest in sustainable and biodegradable alternatives.

How should waste containing 4-(2-Methyl-2-propanyl)phthalonitrile (CAS: 32703-80-3) be handled?

Waste containing 4-(2-Methyl-2-propanyl)phthalonitrile (CAS: 32703-80-3) should be collected in appropriate containers and disposed of through professional waste disposal services. Proper incineration or chemical treatment methods should be used to ensure environmental safety. Always follow local and national regulations for hazardous waste management and maintain proper documentation for disposal.