Phosphinothioic acid, bis(2,4,4-trimethylpentyl)-

Base Information

• Chemical Name: Phosphinothioic acid, bis(2,4,4-trimethylpentyl)-
• CAS No.: 132767-86-3
• Deprecated CAS: 888726-74-7
• Molecular Formula: C16H35 O P S
• Molecular Weight: 306.493
• European Community (EC) Number: 629-655-6
• DSSTox Substance ID: DTXSID10888952
• Nikkaji Number: J654.611K
• Mol file: 132767-86-3.mol

Synonyms:bis(2,4,4-trimethylpentyl)monothiophosphinic acid;Cyanex 302

Chemical Property of Phosphinothioic acid, bis(2,4,4-trimethylpentyl)-

Chemical Property:

• Vapor Pressure: 2.38E-07mmHg at 25°C
• Refractive Index: n20/D 1.48
• Boiling Point: 380.4°C at 760 mmHg
• PKA: 4.45±0.10(Predicted)
• Flash Point: 96 °C
• PSA: 65.68000
• Density: 0.93 g/mL at 20 °C(lit.)
• LogP: 6.33890
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Sonicated)
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 306.21462391
• Heavy Atom Count: 19
• Complexity: 284

Purity/Quality:

98%, ^*data from raw suppliers

DiisooctylthiophosphinicAcid(technicalgrade) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C)(C)C)CP(=S)(CC(C)CC(C)(C)C)O
• Uses: Diisooctylthiophosphinic Acid is a cyanex 302 metal complex with antibacterial and antifungal activities.

Technology Process of Phosphinothioic acid, bis(2,4,4-trimethylpentyl)-

There total 3 articles about Phosphinothioic acid, bis(2,4,4-trimethylpentyl)- 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:

bis(2,4,4-trimethylpentyl)monothiophosphinic chloride (1020539-22-3) → (bis-2,4,4-trimethylpentyl)monothiophosphinic acid (132767-86-3) + bis(2,4,4-trimethylpentyl)-dithiophosphinic acid (107667-02-7)

Guidance literature:

With sodium hydrogensulfide; sulfuric acid; water; at 25 - 30 ℃; for 7 - 10.5h; Product distribution / selectivity;

Reference yield:

bis(2,4,4-trimethylpentyl)monothiophosphinic chloride (1020539-22-3) → bis(2,4,4-trimethylpentyl)phosphinic acid (83411-71-6) + (bis-2,4,4-trimethylpentyl)monothiophosphinic acid (132767-86-3)

Guidance literature:

bis(2,4,4-trimethylpentyl)monothiophosphinic chloride; With sodium hydroxide; water; at 50 - 60 ℃; for 1h;

With sulfuric acid; Product distribution / selectivity;

Reference yield:

bis(2,4,4-trimethylpentyl)phosphinic acid (83411-71-6) → (bis-2,4,4-trimethylpentyl)monothiophosphinic acid (132767-86-3)

Guidance literature:

With sulfuric acid; phosphorous (V) sulfide; at 155 - 160 ℃; for 7h; Product distribution / selectivity;

upstream raw materials:

bis(2,4,4-trimethylpentyl)phosphinic acid

bis(2,4,4-trimethylpentyl)monothiophosphinic chloride

Refernces