Oxidronic acid

Base Information

• Chemical Name: Oxidronic acid
• CAS No.: 15468-10-7
• Molecular Formula: CH6 O7 P2
• Molecular Weight: 192.002
• Hs Code.: 2931900090
• UNII: 71MR4V32TI
• DSSTox Substance ID: DTXSID10165699
• Nikkaji Number: J8.564B
• Wikidata: Q27265970
• NCI Thesaurus Code: C166976
• ChEMBL ID: CHEMBL1615775
• Mol file: 15468-10-7.mol

Synonyms:1,1-hydroxymethyldiphosphonate;disodium (hydroxymethylene)diphosphonate;disodium methane hydroxy-diphosphonate;disodium methane-1-hydroxy-1,1-diphosphonate;hydroxymethanediphosphonic acid;hydroxymethanediphosphonic acid, 14C-labeled;hydroxymethanediphosphonic acid, disodium salt;hydroxymethanediphosphonic acid, monosodium salt;hydroxymethanediphosphonic acid, tetrasodium salt;hydroxymethanediphosphonic acid, trisodium salt;hydroxymethylene bisphosphonate;methylhydroxydiphosphonate;MHDP

Chemical Property of Oxidronic acid

Chemical Property:

• Vapor Pressure: 1.11E-18mmHg at 25°C
• Boiling Point: 632.9°Cat760mmHg
• Flash Point: 336.6°C
• PSA: 154.91000
• Density: 2.363g/cm³
• LogP: -1.38230
• XLogP3: -3.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 191.95887652
• Heavy Atom Count: 10
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

OXIDRONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(O)(P(=O)(O)O)P(=O)(O)O
• Uses: Regulator (calcium).

Technology Process of Oxidronic acid

There total 9 articles about Oxidronic 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: 69.0%

benzyl formate (104-57-4) → methanehydroxybisphosphonic acid (15468-10-7)

Guidance literature:

With diethyl pyro-di-hydrogenphosphonate; boron trifluoride; In sulfolane; 1.) 20 deg C to 25 deg C, 279 h, 2.) 64 deg C, 2 h, 3.) 75 deg C, 3 h, 4.) 120 deg C, 1 h;

DOI:10.1007/BF00955842

Reference yield: 67.0%

cyclohexyl formate (4351-54-6) → methanehydroxybisphosphonic acid (15468-10-7)

Guidance literature:

With diethyl pyro-di-hydrogenphosphonate; boron trifluoride; In sulfolane; 1.) 20 deg C to 25 deg C, 187 h, 2.) 70 deg C, 6 h, 3.) 130 deg C, 1 h;

DOI:10.1007/BF00955842

Reference yield: 47.0%

n-pentyl formate (638-49-3) → methanehydroxybisphosphonic acid (15468-10-7) + (Pentyloxy-phosphono-methyl)-phosphonic acid (104392-46-3)

Guidance literature:

With diphosphorous acid tetraethyl ester; boron trifluoride; In sulfolane; 1.) 20 deg C to 25 deg C, 209 h, 2.) 75 deg C, 6 h, 3.) 125 deg C, 2 h;

DOI:10.1007/BF00955842

upstream raw materials:

hexyl formate

n-butyl formate

n-pentyl formate

p-tolyl formate