2-iodoethanol

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:624-76-0

MDL number:MFCD00002830

EINECS number:210-861-6

RTECS number:KL3820000

BRN number:1098258

PubChem number:24850603

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 25/4℃): 2.205

3. Relative density (20℃, 4℃): 2.1968

4 . Melting point (ºC):

5. Boiling point (ºC, normal pressure): 176.5^d

6. Refractive index at room temperature (n²⁰ ): 1.5713

7. Refractive index: 1.572

8. Flash point (ºC): 66

9. Specific rotation (º ): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

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. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Soluble in water.

Toxicological data

None yet

Ecological data

Do not allow this product to come into contact with groundwater, waterways and sewage systems. Yes, it is hazardous. Even small amounts seeping into the ground can cause harm to drinking water. Do not discharge the material into the surrounding environment without government consent.

Molecular structure data

1. Molar refractive index: 25.81

2. Molar volume (cm³/mol): 77.8

3. Isotonic specific volume (90.2K ): 202.4

4. Surface tension (dyne/cm): 45.6

5. Polarizability (10^-24cm³): 10.23

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.6

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6.�The polar surface area of ​​the molecule is 20.2

7. Number of heavy atoms: 4

8. Surface charge: 0

9. Complexity: 10

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10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Keep away from light, oxides.

Storage method

Store in an airtight container, protected from light and refrigerated. The storage area must be locked and the keys must be kept by the technical experts and their assistants. Keep away from oxides, light.

Synthesis method

Derived from the reaction of chloroethanol and sodium iodide. Heat the mixture of acetone and anhydrous sodium iodide on a water bath to reflux, and slowly add chlorohydrin. After the addition is completed, continue to reflux for 12 hours, cool, and filter out the sodium chloride crystals. Then add sodium iodide to the filtrate and continue to reflux for 4 hours, cool, filter, and recover acetone. Distill the residue under reduced pressure under nitrogen protection and collect the 85-88°C (3.33kPa) fraction to obtain 2-iodoethanol.

Purpose

Used in organic synthesis.