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.
