1,2-ETHYLENEDIPHOSPHONIC ACID

Base Information

• Chemical Name: 1,2-ETHYLENEDIPHOSPHONIC ACID
• CAS No.: 6145-31-9
• Molecular Formula: C2H8 O6 P2
• Molecular Weight: 190.02
• Hs Code.: 2931900090
• NSC Number: 40837
• DSSTox Substance ID: DTXSID70210391
• Nikkaji Number: J952.310C
• Wikidata: Q83085087
• ChEMBL ID: CHEMBL1566305
• Mol file: 6145-31-9.mol

Synonyms:Phosphonicacid, 1,2-ethanediylbis- (9CI); Phosphonic acid, ethylenedi- (6CI,7CI,8CI);1,2-Ethanediphosphonic acid; 1,2-Ethylenebis(phosphonic acid);1,2-Ethylenediphosphonic acid; Ethylenediphosphonic acid; NSC 40837

Chemical Property of 1,2-ETHYLENEDIPHOSPHONIC ACID

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 217-221°C
• Boiling Point: 532.789°C at 760 mmHg
• PKA: 1.78±0.10(Predicted)
• Flash Point: 276.021°C
• PSA: 134.68000
• Density: 2.011g/cm³
• LogP: -0.65820
• Water Solubility.: Soluble in water
• XLogP3: -3.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 189.97961197
• Heavy Atom Count: 10
• Complexity: 164

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,2-Ethylenediphosphonic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: R34:Causes burns.
• Statements: R34:Causes burns.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CP(=O)(O)O)P(=O)(O)O
• Uses: 1,2-Ethylenediphosphonic Acid is used in the preparation of neutral rust remover for metal surface treatment.

Technology Process of 1,2-ETHYLENEDIPHOSPHONIC ACID

There total 5 articles about 1,2-ETHYLENEDIPHOSPHONIC 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: 77.4%

→ ethane-1,2-diphosphonic acid (6145-31-9)

Guidance literature:

Reference yield:

tetraethyl ethylenebis(phosphonate) (995-32-4) → ethane-1,2-diphosphonic acid (6145-31-9)

Guidance literature:

With hydrogenchloride; at 130 - 145 ℃;

Reference yield:

tetra(beta-chloroethyl) ethylene bisphosphonate (15107-56-9) → ethane-1,2-diphosphonic acid (6145-31-9)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

tetraethyl ethylenebis(phosphonate)

tetra(beta-chloroethyl) ethylene bisphosphonate

hydrogenchloride

ethylenebis(phenyl phosphonate)

Downstream raw materials:

bisphosphorylethane

Refernces

• 1、 Tian, Tao,Yang, Weiting,Wang, Hao,Dang, Song,Sun, Zhong-Ming. "Flexible diphosphonic acids for the isolation of uranyl hybrids with heterometallic UVI = O - ZnII cation-cation interactions". supporting information. p. 8288 - 8290. Retrieved 2013/09/02.