Tributylhexylphosphonium Bromide

• CAS: 105890-71-9
• Catalog Number: ACM105890719
• Category: Phosphonium Ionic Liquids
• Molecular Weight: 367.4
• Molecular Formula: C18H40BrP
• Synonyms: Hexyltributylphosphonium Bromide
• IUPAC Name: tributyl(hexyl)phosphanium;bromide
• Canonical SMILES: CCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
• InChI: 1S/C18H40P.BrH/c1-5-9-13-14-18-19(15-10-6-2,16-11-7-3)17-12-8-4;/h5-18H2,1-4H3;1H/q+1;/p-1
• InChI Key: ZBZFETNHIRABGK-UHFFFAOYSA-M
• Appearance: Colorless to Light orange to Yellow clear liquid
• Application: Metal Plating, Electropolishing, Metal Reprocessing, Phase transfer media, Batteries Fuel Cells, Nanomaterials, Industrial Solvents, Nuclear Fuel Red Waste, Enzymatic Catalysis, Lubricants Heat Transfer and Solar Energy Conversion.
• Storage: Store under inert gas
• Abbreviation: P6,4,4,4Br
• Chemical Formula: P6,4,4,4Br
• Complexity: 155
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 2
• Exact Mass: 366.2051g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 20
• MDL Number: MFCD00134170
• Monoisotopic Mass: 366.2051g/mol
• NSC Number: 41947
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Rotatable Bond Count: 14
• Signal Word: Warning
• Specific Gravity: 1.04

Custom Q&A

What is the molecular formula of Tributylhexylphosphonium Bromide?

The molecular formula of Tributylhexylphosphonium Bromide is C18H40BrP.

When was Tributylhexylphosphonium Bromide created and modified?

Tributylhexylphosphonium Bromide was created on December 5, 2007, and modified on December 30, 2023.

What is the molecular weight of Tributylhexylphosphonium Bromide?

The molecular weight of Tributylhexylphosphonium Bromide is 367.4 g/mol.

What are some synonyms for Tributylhexylphosphonium Bromide?

Some synonyms for Tributylhexylphosphonium Bromide are 105890-71-9, Tributyl(hexyl)phosphonium bromide, and Phosphonium, tributylhexyl-, bromide.

What are the component compounds of Tributylhexylphosphonium Bromide?

The component compounds of Tributylhexylphosphonium Bromide are Hydrobromic Acid and Tributyl(hexyl)phosphanium.

What is the IUPAC name of Tributylhexylphosphonium Bromide?

The IUPAC name of Tributylhexylphosphonium Bromide is tributyl(hexyl)phosphanium;bromide.

What is the InChIKey of Tributylhexylphosphonium Bromide?

The InChIKey of Tributylhexylphosphonium Bromide is ZBZFETNHIRABGK-UHFFFAOYSA-M.

What is the CAS number of Tributylhexylphosphonium Bromide?

The CAS number of Tributylhexylphosphonium Bromide is 105890-71-9.

How many hydrogen bond donor counts does Tributylhexylphosphonium Bromide have?

Tributylhexylphosphonium Bromide has 0 hydrogen bond donor counts.

Is Tributylhexylphosphonium Bromide a covalently-bonded unit count of 2?

Yes, Tributylhexylphosphonium Bromide has a covalently-bonded unit count of 2.

Synthetic Use

Upstream Synthesis Route 1

• 111-25-1
• 998-40-3

• 105890-71-9

Reference: [1]Brunel, Frédéric; Lautard, Christelle; Garzino, Frédéric; Giorgio, Suzanne; Raimundo, Jean M.; Bolla, Jean M.; Camplo, Michel
[Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 15, p. 3770 - 3773]
[2]Cvengros, Jan; Toma, Stefan; Marque, Sylvain; Loupy, Andre
[Canadian Journal of Chemistry, 2004, vol. 82, # 9, p. 1365 - 1371]
[3]Mondal, Sujit; Mandal, Tanmay; Sharma, Meeta; Kumar, Ravindra; Arora, Ajay K.; Bansal, Veena; Christopher; Kapur
[Tetrahedron Letters, 2017, vol. 58, # 25, p. 2460 - 2464]
[4]Rauber, Daniel; Zhang, Peng; Huch, Volker; Kraus, Tobias; Hempelmann, Rolf
[Physical Chemistry Chemical Physics, 2017, vol. 19, # 40, p. 27251 - 27258]