2-Phosphonobutane-1,2,4-tricarboxylic acid

Base Information

• Chemical Name: 2-Phosphonobutane-1,2,4-tricarboxylic acid
• CAS No.: 37971-36-1
• Deprecated CAS: 94386-13-7
• Molecular Formula: C₇H₁₁O₉P
• Molecular Weight: 270.133
• Hs Code.: 2931900090
• European Community (EC) Number: 253-733-5,254-894-4
• UNII: 306P37319L
• DSSTox Substance ID: DTXSID4027999
• Nikkaji Number: J261.277A
• Wikidata: Q27255925
• Mol file: 37971-36-1.mol

Synonyms:2-phosphonobutane-1,2,4-tricarboxylic acid;2-phosphonobutane-1,2,4-tricarboxylic acid, sodium salt;2-phosphonobutane-1,2,4-tricarboxylic acid, trisodium salt;PBTA;PBTC tricarboxylic acid

Chemical Property of 2-Phosphonobutane-1,2,4-tricarboxylic acid

Chemical Property:

• Appearance/Colour: Clear colorless to yellowish liquid
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.579
• Boiling Point: 545.2 °C at 760 mmHg
• PKA: 1.14±0.10(Predicted)
• Flash Point: 283.5 °C
• PSA: 179.24000
• Density: 1.835 g/cm³
• LogP: -0.67300
• Solubility.: Completely miscible in water
• Water Solubility.: 909g/L at 20℃
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 270.01406892
• Heavy Atom Count: 17
• Complexity: 383

Purity/Quality:

50%, ^*data from raw suppliers

2-Phosophonobutane-1,2,4-tricarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi;Xn,Xn,Xi
• Statements: 34
• Safety Statements: 26-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O
• Description: 2-Phosphonobutane-1,2,4-tricarboxylic acid(PBTC) is the latest generation of internationally popular phosphine carboxylic acid, and it is one of the most widely used and best-performing products in the compounding of high-efficiency scale and corrosion inhibitors. It is especially suitable for water quality conditions of high temperature, high hardness, high alkalinity, high pH, and high concentration ratio, and has good scale inhibition performance for calcium carbonate scale and calcium phosphate scale.
• Uses: PBTC is the most widely used in the compounding of high-efficiency scale and corrosion inhibitors, is one of the products with the best performance, and is also an excellent stabilizer for zinc salts. It is widely used in the corrosion and scale inhibition of circulating cooling water system and oilfield water injection system, especially suitable for compounding with zinc salt and copolymer. It can be used as a chelating agent and metal cleaning agent in the washing industry.

Technology Process of 2-Phosphonobutane-1,2,4-tricarboxylic acid

There total 2 articles about 2-Phosphonobutane-1,2,4-tricarboxylic 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:

ethyl acrylate (140-88-5,9003-32-1) + Diethyl maleate (141-05-9) → 2-Phosphono-butane-1,2,4-tricarboxylic acid (37971-36-1)

Guidance literature:

Diethyl maleate; With ethylenediamine; phosphonic acid diethyl ester; at 100 ℃; for 1h;

ethyl acrylate; With hydrogenchloride; In water; at 50 - 80 ℃; for 8.5h;

Reference yield:

methanolic sodium methylate + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → 2-Phosphono-butane-1,2,4-tricarboxylic acid (37971-36-1)

Guidance literature:

With sodium methylate; In methanol;

upstream raw materials:

acrylic acid methyl ester

ethyl acrylate

Diethyl maleate

Refernces

• 1、 -. "Production of 2-phosphonobutane-1,2,4-tricarboxylic acid and the alkali metal salts thereof". . . Retrieved 2008/06/13.