2,3,5-triiodobenzoic 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:88-82-4

mdl number:mfcd00002420

einecs number:201-859-6

rtecs number:dh9275000

brn number:1955088

pubchem number:24900330

physical property data

1. properties: light yellow prismatic crystal.

2. density (g/ml, 25/4℃): undetermined

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): 224～226

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc, 5.2kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific rotation (º): undetermined determined

10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (kpa, 25ºc): not determined

12. saturated vapor pressure (kpa, 60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit ( %, v/v): undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: soluble in hot ethanol and ether, slightly soluble in boiling benzene, insoluble in water.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 71.90

2. molar volume (cm³/mol): 168.1

3. isotonic specific volume (90.2k ): 496.2

4. surface tension (dyne/cm): 75.7

5. polarizability (10-24cm3): 28.50

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.4

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 37.3

7.��number of atoms: 12

8. surface charge: 0

9. complexity: 186

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

this product should be sealed and stored away from light.

synthesis method

none

purpose

plant growth regulator. ​​​​