1315333-31-3

Basic information

• Product Name: C₆H₁₂N₄*C₁₅H₁₂Br₄O₂
• CAS NO: 1315333-31-3
• Molecular Weight: 684.063
• Mol File: 1315333-31-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₆H₁₂N₄*C₁₅H₁₂Br₄O₂(CAS DataBase Reference)
• NIST Chemistry Reference: C₆H₁₂N₄*C₁₅H₁₂Br₄O₂(1315333-31-3)
• EPA Substance Registry System: C₆H₁₂N₄*C₁₅H₁₂Br₄O₂(1315333-31-3)

Safety Data

• Hazardous Substances Data: 1315333-31-3(Hazardous Substances Data)

Upstream product

• 79-94-7 Tetrabromobisphenol A 
• 100-97-0 hexamethylenetetramine 

Relevant articles and documents

Supramolecular organic frameworks of brominated bisphenol derivatives with organoamines

Reactions of two brominated bisphenol derivatives, tetrabromobisphenol-F (TBBPF) and tetrabromobisphenol-A (TBBPA), with various organoamines resulted in six supramolecular organic frameworks (SOFs), formulated as (TBBPF 2-)2·(HPZ+)2· (H 2PZ2+) (1), (TBBPF-)2· (H2PZ2+)·2H2O·2MeOH (2), (TBBPF) · (TBBPF-)· (HDABCO+)·H2O (3), (TBBPF) · (HMTA) (4), (TBBPA) · (HMTA) (5), and (TBBPA) 3· (HMTA)3·H2O (6) (PZ = piperazine; DABCO = diazabicyclo[2.2.2]octane; HMTA = hexamethylenetetramine). Compounds 1-6 were characterized by single-crystal and powder X-ray diffractions. The predominant driving forces in 1-6 are hydrogen bonds (H-bonds), by which the compounds assemble into supramolecular organic frameworks with versatile topological structures. Compound 1 contains TBBPF/PZ in a 2:3 ratio and exhibits 2D (two-dimensional) H-bonded supramolecular 4 4-sql layer structure built by the four-connected {H 2PZ2+} moieties and {TBBPF2-}. Compound 2 shows a 2-fold interpenetrated 3D (three-dimensional) H-bonded networks comprised by TBBPF/PZ in 2:1 ratio with the presence of solvent H2O and MeOH molecules, in which two identical pcu topological nets are recognized by choosing a decamer synthons as nodes. Compound 3 displays H-bonded 4 4-sql layer structure built by 2:1 TBBPF and DABCO, as well as one H2O per formula unit. Compounds 4 and 5 assemble into 1D (one-dimensional) H-bonded zigzag chains via the alternate linkage of HMTA with TBBPF/TBBPA in a similar fashion. Compound 6 generates an interesting hexamer subunit (HMTA ...TBBPA ...HMTA ...TBBPA ...HMTA...TBBPA), which can be viewed as a fragment of three repeating units for a zigzag chain observed in compound 5. A pair of the hexamer subunits is further connected by two water molecules to form an H-bonded molecular oligomer. Importantly, halogen bonds (X-bonds) have been observed in compounds 4-6 that exhibit 1D and 0D H-bonded supramolecular structures.