2,3,5-triiodobenzoic acid
structural formula
| business number | 0203 |
|---|---|
| molecular formula | c7h3i3o2 |
| molecular weight | 499 |
| label |
2,3,5-triiodobenzoic acid, johnkolor,triiodobenzoic acid, plant growth regulator |
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.
