2-iodobutane

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: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.