Description

4-(1,1-Dimethylethyl)benzene-1,2-dicarbonitrile (CAS No. 32703-80-3), also known as 4-tert-Butylphthalonitrile, is a high-purity organic compound with the molecular formula C₁₂H₁₂N₂. This aromatic dinitrile derivative features a tert-butyl group at the 4-position of the benzene ring, making it a valuable intermediate in synthetic chemistry and materials science. With a molecular weight of 184.24 g/mol, it is widely utilized in the preparation of phthalocyanine dyes, coordination complexes, and advanced polymers. Our product is rigorously tested for purity, stability, and consistency, ensuring optimal performance for research and industrial applications. Suitable for use in organic synthesis, catalysis, and as a precursor for functional materials, this compound is available in various packaging options to meet your laboratory needs.

Properties

• CAS Number: 32703-80-3
• Complexity: 293
• IUPAC Name: 4-tert-butylphthalonitrile
• InChI: InChI=1S/C12H12N2/c1-12(2,3)11-5-4-9(7-13)10(6-11)8-14/h4-6H,1-3H3
• InChI Key: LOTMIRVNJTVTSU-UHFFFAOYSA-N
• Exact Mass: 184.100048391
• Molecular Formula: C12H12N2
• Molecular Weight: 184.24
• SMILES: CC(C)(C)C1=CC(=C(C=C1)C#N)C#N
• Topological: 47.6
• Monoisotopic Mass: 184.100048391
• Synonyms: 4-tert-Butylphthalonitrile, 32703-80-3, 4-(1,1-Dimethylethyl)benzene-1,2-dicarbonitrile, EINECS 251-166-8, DTXSID90186382, DTXCID00108873, 251-166-8, 4-(tert-Butyl)phthalonitrile, 4-tert-butylbenzene-1,2-dicarbonitrile, MFCD00060112, 4-t-butylphthalonitrile, 1,2-Benzenedicarbonitrile, 4-(1,1-dimethylethyl)-, 4-tert-Butyl-1,2-dicyanobenzene, Tert-Butylphthalonitrile, SCHEMBL497451, 4-tert-Butylphthalonitrile, 98%, CL4140, AKOS002311841, AS-58759, SY052424, 4-(tert-butyl)benzene-1,2-dicarbonitrile, B1334, CS-0154906, NS00029318, ST50767916, InChI=1/C12H12N2/c1-12(2,3)11-5-4-9(7-13)10(6-11)8-14/h4-6H,1-3H

Application

4-(1,1-Dimethylethyl)benzene-1,2-dicarbonitrile is primarily employed as a key precursor in the synthesis of phthalocyanine dyes and pigments, which are widely used in photodynamic therapy, optoelectronics, and industrial colorants. Its rigid aromatic structure and functional nitrile groups make it suitable for constructing metal-organic frameworks (MOFs) and coordination polymers. Researchers also utilize this compound in the development of organic semiconductors and nonlinear optical materials due to its electron-withdrawing properties.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501

Hazard Classes and Categories

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

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.