Epoxy curing agent Knowledge Diatrizoic acid

Diatrizoic acid

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Ditrizoic acid structural formula

Structural formula

Business number 039E
Molecular formula C11H9I3N2O4
Molecular weight 613.91
label

Heterocyclic compounds

Numbering system

CAS number:117-96-4

MDL number:MFCD00069960

EINECS number:204-223-6

RTECS number:DG5950000

BRN number:None

PubChem number:MFCD00069960

Physical property data

1. Characteristics: Colorless powder.


2. Density (g/mL,20) : Undetermined


3. Relative vapor density (g/mL,Air=1): Undetermined


4. Melting point (ºC): >300


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


6. Boiling point (ºC, KPa): Undetermined


7. Refractive index: Undetermined


8. Flashpoint (ºC): Undetermined


9. Specific optical rotation (º): Undetermined


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


11. Vapor pressure (mmHg, ºC): Undetermined


12. Saturated vapor pressure (kPa, ºC): Undetermined


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


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined


17. Explosion limit (%,V/V): Undetermined


Molar volume (m3/mol):234.3


3 Isotonic specific volume (90.2K) :703.7


4, Surface Tension (dyne/cm):81.3


5 Polarizability (10-24cm3):39.82

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.8

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 6

6. Topological molecule polar surface area 95.5

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 391

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

It is derived from 3,5- diaminobenzoic acid through iodination and acetylation.

Purpose

Diagnostic medication. It is formulated into diatrizoate sodium and diatrizoate meglumine injection, which is used for angiography of the urinary system, cardiovascular, cerebrovascular and peripheral blood vessels.

mso-hansi-font-family: Arial”>):39.82

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.8

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 6

6. Topological molecule polar surface area 95.5

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 391

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

It is derived from 3,5- diaminobenzoic acid through iodination and acetylation.

Purpose

Diagnostic medication. It is formulated into diatrizoate sodium and diatrizoate meglumine injection, which is used for angiography of the urinary system, cardiovascular, cerebrovascular and peripheral blood vessels.

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