Diethylenetriaminepentaacetic acid Diethylenetriaminepentaacetic acid

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:67-43-6

MDL number:MFCD00004289

EINECS number:200-652-8

RTECS number:MB8205000

BRN number:1810219

PubChem number:24278381

Physical property data

1. Appearance: white crystal or crystalline powder

2. Density (g/mL, 25/4℃): 1.56

3. Relative vapor density (g/ mL, air=1): Uncertain

4. Melting point (ºC): 230 (decomposition)

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): 200

9. Specific optical rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC) : Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14 . Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19 . Solubility: Soluble in hot water and alkaline solution, slightly soluble in cold water, insoluble in organic solvents such as alcohol ethers.

Toxicological data

Acute toxicity: rat intraperitoneal LD50: 587 mg/kg; mouse intraperitoneal LC50: 543 mg/kg;

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 85.89

2. Molar volume (cm³/mol): 254.5

3. Isotonic specific volume (90.2K): 775.1

4. Surface tension (dyne/cm): 86.0

5. Polarizability (10^-24cm³): 34.05

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -8.5

2. Number of hydrogen bond donors: 5

3. Number of hydrogen bond acceptors: 13

4. Number of rotatable chemical bonds: 16

5. Number of tautomers: none

6. Topological molecular polar surface area 196

7. Number of heavy atoms: 27

8. Surface charge: 0

9. Complexity: 481

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10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Diethylenetriaminepentaacetic acid (DTPA) is an important amino chelating agent. It has special chelating ability for metal ions, especially high-valence chromogenic metal ions. Strong, so it has important applications in the cleaning industry.

Storage method

This product should be sealed and stored in a cool, dry place away from light.

Synthesis method

1. Made of diethylenetriamine Obtained by reacting with monochloroacetic acid. After neutralizing chloroacetic acid and sodium hydroxide, sodium chlorate and diethylenetriamine are reacted at low temperature, and the resulting product is purified The final product is DTPA.

2. Erya B The condensation of triamine and chloroacetic acid gives diethylenetriaminepentaacetic acid.

3. Put 283.7kg monochloroacetic acid into the reaction kettle, add 220L distilled water, stir and dissolve . Add 40% NaOH solution dropwise at 15°C, 300kg, and complete the addition in about 1.5 hours. Then add 51.6kg of diethylenetriamine dropwise under stirring, and control the temperature at about 20°C during the dropwise addition. Then continue to add 120kg NaOH aqueous solution (40%) dropwise. React at 40°C for 10 to 12 hours. Cool the reaction solution to 5-10°C. Add 260L concentrated hydrochloric acid dropwise under stirring to adjust the pH value to 1.6~1.7, leave it overnight, filter out the crystals, wash the crystals with 400L ice water, and dry under vacuum to obtain about 130kg of crude product. Decolorize with distilled water to obtain pure product. The reaction formula is as follows:

Purpose

1. This product is a chelating titrant. As a complexing agent drug, it is used in the treatment of radioactive isotope and heavy metal poisoning. Complexing agent. Complex titration of molybdenum, sulfate and rare earth metals, galvanometric titration of copper. 2.DTPA is an important amino chelating agent and therefore has important applications in the cleaning industry . DTPA has a complexing or chelating effect on calcium, magnesium, and iron scaling ions, and the solution effect is good. 3. Used for pulping, papermaking, sewage treatment, metal cutting fluid and water-based coatings Defoaming agent. Especially in the pulp and paper industry, it can eliminate floating pulp, improve pulp washing speed, washing quality and bleaching quality, reduce the loss of good pulp, and eliminate spots, transparent spots, holes, etc. on the paper surface. The defoaming effect is better. 4. Used in papermaking bleaching process as hydrogen peroxide decomposition inhibitor.