Terephthalamidine

Base Information

• Chemical Name: Terephthalamidine
• CAS No.: 15411-54-8
• Molecular Formula: C8H10N4
• Molecular Weight: 162.1918
• Hs Code.: 2925290090
• European Community (EC) Number: 831-228-6
• DSSTox Substance ID: DTXSID10165538
• Nikkaji Number: J822.204E
• Wikidata: Q83034766
• NCI Thesaurus Code: C1245
• ChEMBL ID: CHEMBL1187958
• Mol file: 15411-54-8.mol

Synonyms:1,4-benzenedicarboximidamide;terephthalamidine;terephthalamidine dihydrochloride

Chemical Property of Terephthalamidine

Chemical Property:

• Vapor Pressure: 4.45E-05mmHg at 25°C
• Refractive Index: 1.641
• Boiling Point: 301.8 °C at 760 mmHg
• PKA: 10.77±0.50(Predicted)
• Flash Point: 136.3 °C
• PSA: 99.74000
• Density: 1.35 g/cm³
• LogP: 1.85480
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 162.090546336
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

1,4-Diamidinobenzene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=N)N)C(=N)N

Technology Process of Terephthalamidine

There total 2 articles about Terephthalamidine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

terephthalonitrile (623-26-7) → terephthalamidine (15411-54-8)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at 0 - 20 ℃; for 17h;

DOI:10.1002/anie.201806664

Reference yield:

→ terephthalamidine (15411-54-8)

Guidance literature:

aus dem entspr. RCN;

upstream raw materials:

terephthalonitrile

Refernces