5-iodosalicylic 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: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