Isoamyl iodide

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:541-28-6

MDL number:MFCD00039414

EINECS number:208-773-8

RTECS number:EK4412000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: colorless liquid

2. Relative density (g/ cm³, 20/4℃): 1.5025

3. Relative density (25℃, 4℃): 1.4956

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): 149.5

6. Refractive index at room temperature (n²⁵): 1.4913

7. Refractive index (n20ºC): 1.4939

8. Flash point (ºF): 115

9. Specific optical rotation (º): Undetermined

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

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

12. Saturated vapor pressure (kPa, 55.1ºC): 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 Determined

17. Explosion upper limit (%, V/V): Undetermined

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

19. Solubility: soluble in ethanol and ether, insoluble in water.

Toxicological data

1. Acute toxicity: Rat oral LD50: 1424 mg/kg, no details except lethal dose;

Rat intraperitoneal LD50: 1424 mg/kg, no details except lethal dose Detailed description;

Mouse intraperitoneal LD50: 503mg/kg, no detailed description except lethal dose;

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 38.14

2. Molar volume (cm³/mol): 130.2

3. Isotonic specific volume (90.2K ): 302.4

4. Surface tension (dyne/cm): 29.0

5.  Polarizability (10^-24cm³): 15.12

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.4

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 25.1

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

It will turn brown easily when exposed to light or left in the air. It is flammable and decomposes to release toxic gases when burned.

Storage method

Stored in a cool, dry and dark place.

Synthesis method

None yet

Purpose

Used as solvent and organic synthesis intermediate.