1,1,2-tribromoethane 1,1,2-tribromoethane

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:78-74-0

mdl number:mfcd00039168

einecs number:201-138-6

rtecs number:none

brn number:none

pubchem number:24871263

physical property data

1. properties: colorless and transparent liquid.

2. density (g/ml, 25/4℃): 2.1820(d4)

3. relative density (20℃, 4℃): 2.1836

4. melting point (ºc): -26

5. boiling point (ºc, normal pressure): 216.2℃

6. refractive index at room temperature (n²⁰): 1.5933

7. refractive index: 1.424

8. flash point (ºc): -23℃

9. refractive index at room temperature (n ²⁵): 1.5907

10. refractive index at room temperature (n²⁰): 1.563

11. refractive index at room temperature (n ²⁵): 1.561

12. saturated vapor pressure (kpa, 60ºc): uncertain

13. heat of combustion (kj/mol): uncertain

14. critical temperature (ºc): uncertain

15. critical pressure (kpa): uncertain

16. oil and water (octanol/water) log value of distribution coefficient: uncertain

17. explosion upper limit (%, v/v): uncertain

18. explosion lower limit (%, v/v): uncertain

19. solubility: uncertain.

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 34.46

2. molar volume (cm³/mol): 101.4

3. isotonic specific volume (90.2k ): 265.5

4. surface tension (dyne/cm): 46.8

5. polarizability (10^-24cm³): 13.66

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.7

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: 18.9

10. number of isotope atoms:0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the chemical bond configuration number of centers: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

this product should be kept sealed.

synthesis method

none yet

purpose

organic synthesis.