(3H)Phosphoric acid

Base Information

• Chemical Name: (3H)Phosphoric acid
• CAS No.: 14335-33-2
• Molecular Formula: H3O4P
• Molecular Weight: 100.971
• Hs Code.: 2845901000
• European Community (EC) Number: 238-285-0
• DSSTox Substance ID: DTXSID40162398
• Nikkaji Number: J216.968A
• Wikidata: Q83031065
• Mol file: 14335-33-2.mol

Synonyms:PHOSPHORIC ACID-D3;14335-33-2;(3H)Phosphoric acid;trideuterio phosphate;EINECS 238-285-0;Phosphoric Acid D3;(?H?)phosphoric acid;Trideuterophosphoric acid;D3O4P;D3-O4-P;DTXSID40162398;MFCD00044235;AKOS015903668;CS-T-60538;D99431;Phosphoric acid-d3, 85 wt% in Deuterium oxide;J-007802

Chemical Property of (3H)Phosphoric acid

Chemical Property:

• Appearance/Colour: clear colorless solution
• Vapor Pressure: 1.41mmHg at 25°C
• Melting Point: 41-44 °C(lit.)
• Refractive Index: n20/D 1.427(lit.)
• Boiling Point: 157.999 °C at 760 mmHg
• PSA: 87.57000
• Density: 2.235 g/cm³
• LogP: -0.92860
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 100.99572581
• Heavy Atom Count: 5
• Complexity: 49.8

Purity/Quality:

99% ^*data from raw suppliers

Phosphoric Acid-d3 ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acids, Inorganic
• Canonical SMILES: OP(=O)(O)O
• Isomeric SMILES: [2H]OP(=O)(O[2H])O[2H]
• Uses: Phosphoric Acid-d3 is used in various chemical processes as a phosphorylating compound. It is involved in the hydrolysis via phosphorylation of nanocrystals to obtain high-aspect-ratio cellulose n anocrystals.

Technology Process of (3H)Phosphoric acid

There total 10 articles about (3H)Phosphoric 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:

phosphorous (12185-10-3) + water-d2 (7789-20-0) + dibenzoyl peroxide (94-36-0) → trideutero hypophosphorous acid (57583-56-9) + deuterophosphorous acid (57583-55-8) + [D3]phosphoric acid (14335-33-2)

Guidance literature:

In water-d2; toluene; Ar, P4 (or soln. of P4 in toluene) added in small portions, heated to 60-60°C, stirred for 0.5-4 h; not isolated, detected by NMR; Kinetics;

DOI:10.1016/j.molcata.2006.11.046

Reference yield:

tert.-butylhydroperoxide (75-91-2) + phosphorous (12185-10-3) + water-d2 (7789-20-0) → trideutero hypophosphorous acid (57583-56-9) + deuterophosphorous acid (57583-55-8) + [D3]phosphoric acid (14335-33-2)

Guidance literature:

In water-d2; toluene; Ar, P4 (or soln. of P4 in toluene) added in small portions, heated to 25-60°C, stirred for 0.5-4 h; not isolated, detected by NMR; Kinetics;

DOI:10.1016/j.molcata.2006.11.046

Reference yield:

phosphorous (12185-10-3) + dihydrogen peroxide (7722-84-1) + water-d2 (7789-20-0) → trideutero hypophosphorous acid (57583-56-9) + deuterophosphorous acid (57583-55-8) + [D3]phosphoric acid (14335-33-2)

Guidance literature:

In water-d2; Ar, P4 added in small portions, heated to 25-90°C, stirred for 0.5-4 h; not isolated, detected by NMR; Kinetics;

DOI:10.1016/j.molcata.2006.11.046

upstream raw materials:

deuterophosphorous acid

sulfuric acid-d2

tert.-butylhydroperoxide

phosphorous

Downstream raw materials:

deuterated potassium dihydrogen phosphate

deuterium sulfide

dideuterioformic acid

ammonium-d4 dideuterium phosphate

Refernces

• 1、 Goodwin, Elizabeth J.,Legon, A. C.. "". . p. 81 - 92. Retrieved 1984.
• 2、 Rudolph, Wolfram W.. "Raman- and infrared-spectroscopic investigations of dilute aqueous phosphoric acid solutions". . p. 9642 - 9653. Retrieved 2010.
• 3、 Tromp, R. Hans,Spieser, Stephane H.,Neilson, George W.. "A neutron diffraction and computer modeling study of the interatomic structure of phosphoric acid". . p. 2145 - 2150. Retrieved 1999.
• 4、 Aziz, Hannah R.,Singleton, Daniel A.. "Concert along the Edge: Dynamics and the Nature of the Border between General and Specific Acid-Base Catalysis". supporting information. p. 5965 - 5972. Retrieved 2017/05/04.