21825-03-6

Basic information

• Product Name: 4,4'-methylenebis[2,6-dibromophenol]
• Synonyms: 4,4'-methylenebis[2,6-dibromophenol];Ai3-31289;Einecs 244-595-7;Phenol, 4,4'-methylenebis(2,6-dibromo-
• CAS NO: 21825-03-6
• Molecular Formula: C₁₃H₈Br₄O₂
• Molecular Weight: 515.81742
• EINECS: 244-595-7
• Mol File: 21825-03-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 224-226 °C
• Boiling Point: 460.9°Cat760mmHg
• Flash Point: 232.5°C
• Appearance: /
• Density: 2.238g/cm³
• PKA: 8.11±0.10(Predicted)
• CAS DataBase Reference: 4,4'-methylenebis[2,6-dibromophenol](CAS DataBase Reference)
• NIST Chemistry Reference: 4,4'-methylenebis[2,6-dibromophenol](21825-03-6)
• EPA Substance Registry System: 4,4'-methylenebis[2,6-dibromophenol](21825-03-6)

Safety Data

• Hazardous Substances Data: 21825-03-6(Hazardous Substances Data)

Upstream product

• 64-17-5 ethanol 
• 7664-93-9 sulfuric acid 
• 20039-93-4 2,6-dibromo-4-hydroxy-4-methylcyclohexa-2,5-dienone 
• 28818-28-2 3,5,3',5'-tetrabromo-4,4'-dihydroxy-benzhydrol 
• 2432-14-6 3,5-dibromo-4-hydroxytoluene 
• 620-92-8 bis-(4-hydroxyphenyl)methane 
• 7726-95-6 bromine 
• 64-19-7 acetic acid 
• 127-09-3 sodium acetate 
• 5532-75-2 2,6-dibromo-4-bromomethyl-phenol 

Downstream Products

• 872811-77-3 2,3,6,2',3',6'-hexabromo-4,4'-methanediyl-di-phenol 
• 1315333-30-2 C₆H₁₂N₄*C₁₃H₈Br₄O₂ 
• 102809-51-8 3,5,3',5'-Tetrabrom-4,4'-dihydroxy-diphenylmethan-bis-(2,4-dinitro-phenyl)-ether 

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.