Dihexylphosphinic acid

Base Information

• Chemical Name: Dihexylphosphinic acid
• CAS No.: 7646-81-3
• Molecular Formula: C12H27 O2 P
• Molecular Weight: 234.319
• European Community (EC) Number: 231-591-5
• UNII: ZTF9BL39F3
• DSSTox Substance ID: DTXSID70227262
• Nikkaji Number: J50.252I
• Wikidata: Q83106949
• Mol file: 7646-81-3.mol

Synonyms:Dihexylphosphinic acid;7646-81-3;Phosphinic acid, dihexyl-;Di-n-hexylphosphinic acid;Phosphinic acid,P,P-dihexyl-;EINECS 231-591-5;BRN 1772195;ZTF9BL39F3;4-04-00-03490 (Beilstein Handbook Reference);UNII-ZTF9BL39F3;SCHEMBL497455;C12H27O2P;DTXSID70227262;P,P-DIHEXYLPHOSPHINIC ACID;PHOSPHINIC ACID, P,P-DIHEXYL-;LS-106170;E72567

Chemical Property of Dihexylphosphinic acid

Chemical Property:

• Vapor Pressure: 2.66E-07mmHg at 25°C
• Boiling Point: 393.8°C at 760 mmHg
• Flash Point: 192°C
• PSA: 47.11000
• Density: 0.943g/cm³
• LogP: 4.41740
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 234.17486710
• Heavy Atom Count: 15
• Complexity: 165

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Phosphorus Compounds
• Canonical SMILES: CCCCCCP(=O)(CCCCCC)O

Technology Process of Dihexylphosphinic acid

There total 13 articles about Dihexylphosphinic acid 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: 95.0%

di-n-hexylphosphine oxide (17529-42-9) → dihexyl phosphinic acid (7646-81-3)

Guidance literature:

With iodosylbenzene; In tetrahydrofuran; for 0.3h; Heating;

DOI:10.1080/10426500210674

Reference yield: 95.0%

1-hexene (592-41-6,25067-06-5) + n-hexyl-H-phosphinic acid (34937-79-6) → dihexyl phosphinic acid (7646-81-3)

Guidance literature:

With dibenzoyl peroxide; In 1,4-dioxane; at 80 - 85 ℃; for 2h;

Reference yield: 69.0%

methanol (67-56-1) + di-n-hexylphosphine oxide (17529-42-9) → dihexyl phosphinic acid (7646-81-3) + methyl di-n-hexylphosphinate

Guidance literature:

With iodosylbenzene; for 0.2h; Heating;

DOI:10.1080/10426500210674

upstream raw materials:

1-hexene

di-n-hexylphosphine oxide

n-hexylmagnesium bromide

n-hexylmagnesium chloride

Refernces

• 1、 Hubacz, Anna,Makowiec, Slawomir. "Direct conversion of secondary phosphine oxides and h-phosphinates with [Di(acyloxy)iodo]benzenes to phosphinic and phosphonic amides". experimental part. p. 81 - 86. Retrieved 2009/09/25.
• 2、 Makowiec, Slawomir,Rachon, Janusz. "The reactions of dialkyl phosphites and phosphine oxides with iodosylbenzene". . p. 941 - 955. Retrieved 2007/10/03.