Terephthalonitrile (C8H4N2)

Looking for routes to Terephthalonitrile? Terephthalonitrile presents a C8 framework, aromatic rings, basic nitrogen. Use the planner with prefilled SMILES, or copy N#Cc1ccc(C#N)cc1 (CAS 623-26-7).

Target: Terephthalonitrile
CAS: 623-26-7
Formula: C8H4N2
Approx. MW: 128.13
SMILES: N#Cc1ccc(C#N)cc1
PubChem CID: 12172
Approx. carbons: C8

Terephthalonitrile structure

Properties

Molecular weight: 128.13

View on PubChem

Terephthalonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Terephthalonitrile?

Terephthalonitrile has molecular formula C8H4N2. Molecular weight about 128.13 g·mol⁻¹.

What is the CAS number of Terephthalonitrile?

The CAS Registry Number for Terephthalonitrile is 623-26-7.

Run AI retrosynthesis for Terephthalonitrile Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C8H4N2.

Related targets

Similar compounds

Isophthalonitrile (Pentafluorophenyl)acetonitrile 1-(4-Fluorophenyl)ethylamine 1-Phenylethanamine 2-(2-Chlorophenyl)ethylamine 2-(Piperazin-1-yl)pyrimidine

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.