Tributylhexadecylphosphonium bromide

Base Information

• Chemical Name: Tributylhexadecylphosphonium bromide
• CAS No.: 14937-45-2
• Deprecated CAS: 2069974-13-4
• Molecular Formula: C28H60 P . Br
• Molecular Weight: 507.662
• Hs Code.: 2931900090
• European Community (EC) Number: 239-014-9
• DSSTox Substance ID: DTXSID50884776
• ChEMBL ID: CHEMBL110738
• Mol file: 14937-45-2.mol

Synonyms:THPB compound;tributylhexadecylphosphonium bromide

Chemical Property of Tributylhexadecylphosphonium bromide

Chemical Property:

• Appearance/Colour: white to off-white crystal
• Melting Point: 56-58 °C(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 13.59000
• Density: g/cm³
• LogP: 7.88960
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Solubility.: methanol: 0.1 g/mL, clear
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 24
• Exact Mass: 506.36160
• Heavy Atom Count: 30
• Complexity: 277

Purity/Quality:

99% ^*data from raw suppliers

Tributylhexadecylphosphonium Bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Phosphorus Compounds
• Canonical SMILES: CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
• Uses: Tributylhexadecylphosphonium Bromide (CAS# 14937-45-2) is a dynamic compound used as a surface modifier for thermal properties of palygorskite, an additive in water to improve resistance of epoxy-anhydride matrices, and as a modifier of phenolic resin to improve thermal degradation.

Technology Process of Tributylhexadecylphosphonium bromide

There total 3 articles about Tributylhexadecylphosphonium bromide 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:

1-bromo-butane (109-65-9) + hexadecyltributylphosphonium thiocyanate (67047-78-3) → n-butylthiocyanate (628-83-1) + cetyltributylphosphonium bromide (14937-45-2)

Guidance literature:

In benzene-d6; at 60 ℃; for 50h; Equilibrium constant;

Reference yield:

benzyl bromide (100-39-0) + hexadecyltributylphosphonium thiocyanate (67047-78-3) → benzyl thiocyanate (3012-37-1) + cetyltributylphosphonium bromide (14937-45-2)

Guidance literature:

With water; In benzene-d6; at 60 ℃; Kinetics; Equilibrium constant;

Reference yield:

→ cetyltributylphosphonium bromide (14937-45-2)

Guidance literature:

1-Bromohexadecan, Tributylphosphin;

DOI:10.1021/ja00730a033

upstream raw materials:

1-bromo-butane

hexadecyltributylphosphonium thiocyanate

benzyl bromide

Downstream raw materials:

1-bromo-butane

hexadecyltributylphosphonium thiocyanate

1-methyl-4-(3-chlorophenyl)-4-piperidinecarbonitrile

3-[[1-(4-methylphenyl)-2-phenyl-1H-benzimidazol-6-yl]oxy]phenol

Refernces

• 1、 Ohtani, Noritaka,Murakawa, Shigeki,Watanabe, Kohji,Tsuchimoto, Daisuke,Sato, Daiki. "Thiocyanation of alkyl halides with alkyl thiocyanates in the presence of quaternary phosphonium halides". . p. 1851 - 1856. Retrieved 2007/10/03.