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.