5-iodosalicylic acid
Structural formula
| Business number | 03AP |
|---|---|
| Molecular formula | C7H5IO3 |
| Molecular weight | 264.02 |
| label |
IC6H3(OH)CO2H, aromatic compounds |
Numbering system
CAS number:119-30-2
MDL number:MFCD00002458
EINECS number:204-313-5
RTECS number:VO4200000
BRN number:None
PubChem number:24895920
Physical property data
1. Properties: white powder.
2. Density (g/mL, 25℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 189-191
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 12mmHg): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
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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. Log value of oil-water (octanol/water) distribution coefficient: Undetermined
17. Explosion upper limit (%, V /V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
1. Acute toxicity: mouse intraperitoneal LDL0: 500mg/kg
2. Main irritant effects:
On the skin: irritate the skin and mucous membranes.
On eyes: Irritation effects
Sensitization: No known sensitizing effects.
Ecological data
General notes
Water hazard class 1 (German Regulation) (self-assessment via list) This substance is slightly hazardous to water.
Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.
Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 47.97
2. Molar volume (cm3/mol): 122.4
3. Isotonic specific volume (90.2K): 360.0
4. Surface tension (dyne/cm): 74.6
5. Polarizability (10-24cm3): 19.01
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 3.1
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 4
6. Topological molecular polar surface area (TPSA): 57.5
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7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 160
10. Number of isotope atoms : 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the chemical bond configuration Number of centers: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with strong oxidizing agents.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None yet
Purpose
Used as pharmaceutical intermediates
