Isoamyl iodide
Structural formula
| Business number | 05KQ |
|---|---|
| Molecular formula | C5H11I |
| Molecular weight | 198.05 |
| label |
1-iodo-3-methylbutane, isopentyl iodide, Iodoisopentane, 1-Iodo-3-methylbutane, Isoamyl iodide, Halogenated hydrocarbon solvents, aliphatic compounds |
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.