2-iodobutane
Structural formula
| Business number | 05AT |
|---|---|
| Molecular formula | C4H9I |
| Molecular weight | 184.02 |
| label |
2-iodobutane, sec-butane iodide, sec-butyl iodide, sec-Butyl iodide, CH3CH2CHICH3, Halogenated hydrocarbon solvents, aliphatic compounds |
Numbering system
CAS number:513-48-4
MDL number:MFCD00001072
EINECS number:208-163-1
RTECS number:EK4410000
BRN number:1718777
PubChem number:24851965
Physical property data
1. Properties: colorless liquid.
2. Relative density (g/ cm3, 20/4℃): 1.5976
3. Relative density (25℃, 4℃): 1.5893
4. Melting point (ºC): -104
5. Boiling point (ºC, normal pressure): 120.0
6. Gas phase standard entropy (J· mol-1·K-1): 365.96
7. Refractive index (n20ºC): 1.5001
8. Flash Point (ºC): 21
9. Refractive index at room temperature (n25): 1.4975
10. Gas phase standard hot melt (J·mol-1·K-1): 112.30
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturation 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. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Miscible with ethanol and ether, insoluble in water.
Toxicological data
1. Oncogenicity data: Mouse intraperitoneal TDLo: 6000 mg/kg/8W-I, RTECS standard for tumors, lung, chest or respiratory-tumor;
2. Mutagenicity data : DNA repairTEST System: Bacteria – E. coli: 39800 ug/well/16H.
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: 33.50
2. Molar bodyVolume (cm3/mol): 113.7
3. Isotonic specific volume (90.2K): 262.6
4. Surface tension (dyne/cm): 28.4
5. Polarizability (10-24cm3): 13.28
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 5
8. Surface charge: 0
9. Complexity: 19.6
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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
Use and store according to specifications. It will not decompose and avoid contact with oxides. Turns brown when exposed to light. Highly flammable, it will decompose and release toxic gases when exposed to open flames or high heat.
Storage method
Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None
Purpose
Solvents, organic synthesis intermediates.
