(Nitrilotris(methylene))triphosphonic acid

Base Information

• Chemical Name: (Nitrilotris(methylene))triphosphonic acid
• CAS No.: 6419-19-8
• Deprecated CAS: 39470-48-9,57515-65-8,80209-58-1,90735-66-3,99719-52-5,103333-74-0,275797-11-0,85188-81-4,2376175-36-7,275797-11-0,57515-65-8,80209-58-1,90735-66-3,99719-52-5
• Molecular Formula: C3H12NO9P3
• Molecular Weight: 299.051
• Hs Code.: 29319090
• European Community (EC) Number: 229-146-5,243-900-0
• UNII: 1Y702GD0FG
• DSSTox Substance ID: DTXSID2027624
• Nikkaji Number: J56.127D
• Wikipedia: ATMP
• Wikidata: Q4222241
• Metabolomics Workbench ID: 44064
• ChEMBL ID: CHEMBL260191
• Mol file: 6419-19-8.mol

Synonyms:(nitrilotris(methylene))triphosphonic acid;aminotris(methylenephosphonic acid);ammonium (nitrilotris(methylene))triphosphonate;ATMP cpd;heaxammonium (nitrilotris(methylene))triphosphonate;hexapotassium (nitrilotris(methylene))triphosphonate;nitrilotris(methyleneiphosphonic acid);nitrilotris(methylenephosphonic acid);NTMP cpd;NTMTPA;pentasodium (nitrilotris(methylene))triphosphonate;pentpotassium (nitrilotris(methylene))triphosphonate;potassium (nitrilotris(methylene))triphosphonate;sodium (nitrilotris(methylene))triphosphonate;tetrammonium (nitrilotris(methylene))triphosphonate;triammonium (nitrilotris(methylene))triphosphonate;trisodium (nitrilotris(methylene))triphosphonic acid;zinc (nitrilotris(methylene))triphosphonate;zinc (nitrilotris(methylene))triphosphonate (1:2)

Chemical Property of (Nitrilotris(methylene))triphosphonic acid

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 2.29E-24mmHg at 25°C
• Melting Point: ~215 °C (dec.)
• Boiling Point: 746.2 °C at 760 mmHg
• PKA: 0.56±0.10(Predicted)
• Flash Point: 405.1 °C
• PSA: 205.26000
• Density: 2.094 g/cm³
• LogP: -1.30600
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Water (Slightly, Heated)
• Water Solubility.: 500g/L at 20℃
• XLogP3: -7.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 298.97249195
• Heavy Atom Count: 16
• Complexity: 305

Purity/Quality:

95% ^*data from raw suppliers

Nitrilotris(methylene)triphosphonic acid solution ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 36-34-35
• Safety Statements: 26-45-36/37/39-25-44-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Phosphate Compounds
• Canonical SMILES: C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O
• Uses: It is used for power plants, refineries, petrochemicals, fertilizer plant cooling water, oil field injection water system,particularly suitable for hard high-calcium, low concentration multiple systems, such as power plants and high hardness high salinity, bad water quality conditions of the oil pipeline inhibitors,which may decrease the risk of corrosion and scaling of metal equipment and pipeline. In the textile printing and dyeing industry,Amino tris(methylene phosphonic acid) is used as a metal ion chelating agent, metal surface treatment agent. The above information is edited by the lookchem of Tian Ye. A powerful complexing agent. A potent acid sphingomyelinase inhibitor. Nitrilotris(methylene)triphosphonic acid solution was used to study the mechanism of inhibition of cement hydration by phosphonic acid. Nitrilotri(methylphosphonic acid) is a common chelating agent used in synthetic chemistry. Some of the other applications include:Preparation of hexagonal porous three-dimensional structures encapsulating a template, layered structures with intercalated templates or linear polymers.Synthesis of metal-organic frameworks in combination with uranyl nitrate.Preparation of ingredient of anticorrosive protective coatings on the steel surface.ATMP can also be employed as a scale inhibitor during squeeze treatments in oilfield operations.

Technology Process of (Nitrilotris(methylene))triphosphonic acid

There total 12 articles about (Nitrilotris(methylene))triphosphonic 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: 94.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Aminomethylphosphonic acid (1066-51-9) → nitrilo-tris(methylenephosphonic acid) (6419-19-8,103333-74-0)

Guidance literature:

Aminomethylphosphonic acid; With phosphonic Acid; for 0.0833333h; Microwave irradiation;

formaldehyd; for 0.0833333h; Microwave irradiation;

DOI:10.1016/j.molstruc.2021.131714

Reference yield: 72.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) → nitrilo-tris(methylenephosphonic acid) (6419-19-8,103333-74-0)

Guidance literature:

With phosphoric acid; ammonia; In water; at 126 - 136 ℃; for 4h; Product distribution / selectivity;

Reference yield: 54.0%

N-(triphenylmethyl)methanimine (120060-75-5) + acetic anhydride (108-24-7) → Aminomethylphosphonic acid (1066-51-9) + nitrilo-tris(methylenephosphonic acid) (6419-19-8,103333-74-0) + (iminobismethylene)bisphosphonic acid (17261-34-6)

Guidance literature:

acetic anhydride; With phosphonic Acid; at 0 - 20 ℃;

N-(triphenylmethyl)methanimine; at 0 ℃;

With hydrogenchloride; water; for 8h; Reflux;

DOI:10.3998/ark.5550190.0011.b29

upstream raw materials:

P,P',P''-azanetriyltrimethyl-tris-phosphonic acid hexaethyl ester

formaldehyd

N,N-methylenediacetamide

hexamethylenetetramine

Downstream raw materials:

(pyridinium)[Cu(II)(nitrilotrimethylenetrisphosphonate)(H2O)]

Refernces

• 1、 -. "Production process of low-chloride amido-trimethylene phosphonic acid (ATMP)". Paragraph 0016; 0018; 0022-0036. . Retrieved 2017/08/27.
• 2、 -. "METHOD FOR THE MANUFACTURE OF AMINOPOLYALKYLENE PHOSPHONIC ACIDS". Page/Page column 18. . Retrieved 2010/12/26.