1253385-66-8

Basic information

• Product Name: C₄₀H₃₈N₆O₂
• CAS NO: 1253385-66-8
• Molecular Weight: 634.781
• Mol File: 1253385-66-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₄₀H₃₈N₆O₂(CAS DataBase Reference)
• NIST Chemistry Reference: C₄₀H₃₈N₆O₂(1253385-66-8)
• EPA Substance Registry System: C₄₀H₃₈N₆O₂(1253385-66-8)

Safety Data

• Hazardous Substances Data: 1253385-66-8(Hazardous Substances Data)

Upstream product

• 4444-26-2 benzenehexamine 
• 3058-38-6 2,4,6-triamino-1,3,5-trinitrobenzene 
• 2631-68-7 1,3,5-trichloro-2,4,6-trinitrobenzene 
• 108-70-3 1,3,5-trichlorobenzene 
• 1253385-62-4 1,6-bis(4-(hexyloxy)phenyl)hexa-1,5-diyne-3,4-dione 
• 79790-36-6 9,10-diamino-1,4,5,8-tetraazaphenanthrene 

Relevant articles and documents

Synthesis and electrochemical and theoretical studies of V-shaped donor-acceptor hexaazatriphenylene derivatives for second harmonic generation

In this article we describe novel synthetic strategies toward well-defined disubstituted conjugated hexaazatriphenylene (HAT) derivatives. The systems are designed as novel V-shaped chromophores displaying C2 symmetry suitable for nonlinear optical investigations. Different donor moieties and linkers have been used in order to tune the electrochemical properties as well as the absorption spectra of the novel HAT derivatives. μβ values as high as 1010 × 10-48 esu have been obtained for a derivative containing the electron-rich dibutylamino moiety. Theoretical calculations have been performed showing a reasonable agreement with the experimental results and supporting the two-dimensional NLO character of these chromophores.