Diethylenetriaminepentaacetic acid Diethylenetriaminepentaacetic acid
Structural formula
| Business number | 01EM |
|---|---|
| Molecular formula | C14H23N3O10 |
| Molecular weight | 393.35 |
| label |
Diethylenetriaminepentacetic acid, DTPA, Cleaning, pre-molding agent |
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.
