Phosphonic acid, propyl-

Base Information

• Chemical Name: Phosphonic acid, propyl-
• CAS No.: 4672-38-2
• Molecular Formula: C3H7O3P-2
• Molecular Weight: 124.076
• DSSTox Substance ID: DTXSID40963645
• Nikkaji Number: J23.988G
• Wikidata: Q72502952
• Mol file: 4672-38-2.mol

Synonyms:Phosphonic acid, propyl-;DIHYDROGEN PROPYLPHOSPHONATE;EINECS 225-121-8;NIA 10656;BRN 1747443;Phosphorous acid, monoanhydride with methyl hydrogen 4-morpholinylphosphonate, diethyl ester;propoxyphosphinic acid;phosphonic acid propyl ester;SCHEMBL282710;DTXSID40963645;LS-106769;[Oxo(propoxy)-lambda~5~-phosphanylidene]oxidanium;42023-31-4

Chemical Property of Phosphonic acid, propyl-

Chemical Property:

• Vapor Pressure: 0.00268mmHg at 25°C
• Melting Point: 67-71oC(lit.)
• Boiling Point: 265.3°C at 760 mmHg
• PKA: pK1:2.49;pK2:8.18 (25°C)
• Flash Point: 114.3°C
• PSA: 67.34000
• Density: 1.137 (estimate)
• LogP: 0.57410
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 123.02110611
• Heavy Atom Count: 7
• Complexity: 63.2

Purity/Quality:

99.9% ^*data from raw suppliers

Propylphosphonic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCO[P+](=O)O
• Uses: Propylphosphonic acid was used in generation of free radicals, to investigate the inactivation of Aeromonas hydrophila by free radicals, generated spontaneously in oxidizing Fe2+-containing groundwaters.1

Technology Process of Phosphonic acid, propyl-

There total 8 articles about Phosphonic acid, propyl- 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: 88.0%

diethyl propylphosphonate (18812-51-6) → propylphosphonic acid (4672-38-2)

Guidance literature:

With hydrogenchloride; In water; for 8h; Reflux;

DOI:10.1016/j.tetlet.2015.02.126

Reference yield:

propanephosphonic acid, bis (trimethylsilyl) ester → propylphosphonic acid (4672-38-2)

Guidance literature:

With water; at 20 ℃;

DOI:10.1016/j.tetlet.2015.02.126

Reference yield:

propyl bromide (106-94-5) → propylphosphonic acid (4672-38-2)

Guidance literature:

With toluene; Beim Erwaermen des Reaktionsprodukts mit wss. HCl;

DOI:10.1021/ja01110a024

upstream raw materials:

propylphosphonous acid

cyano-propyl-phosphinic acid propyl ester

propyl bromide

diethyl propylphosphonate

Downstream raw materials:

propene

propane

methyl hydrogen propylphosphonate

C₇H₁₇O₃P

Refernces

• 1、 -. "Compound and its use in electrochromic devices". . . Retrieved 2008/06/13.
• 2、 -. "Process for the production of aliphatic phosphonic acids". . . Retrieved 2008/06/13.