tribromoethanol 2,2,2-tribromoethanol

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:75-80-9

mdl number:mfcd00004671

einecs number:200-903-1

rtecs number:km3675000

brn number:1733249

pubchem number:24889399

physical property data

1. character: white crystal or powder. slightly aromatic smell and taste. sensitive to light and air.

2. density (g/ml,25/4 ℃): undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc): 79～82

5. boiling point (ºc,normal pressure): 92～ 93℃

6. boiling point (ºc,5.2kpa): not ok

7. refractive index: not ok

8. flashpoint (ºc): undetermined

9. specific optical rotation ( º): undetermined

10. spontaneous ignition point or ignition combustion temperature (ºc) : undetermined

11. vapor pressure (kpa,25ºc): not ok

大mouse subcutaneousld50:530mg/kg

小mouse caliberld50:930mg/kg

rabbit caliberld50:1100mg/kg

rabbit abdominal cavityldl0:450mg/kg

rabbit rectumldl0:300mg/kg

ecological data

none

molecular structure data

1. molar refractive index:36.01

2. molar volume (m³/mol）：98.6

3. isotonic specific volume (90.2k):279.9

4. surface tension (dyne/cm):64.8

5. polarizability（10^-24cm³):14.27

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 20.2

7. number of heavy atoms: 6

8. surface charge: 0

9. complexity: 38.5

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

none

storage method

this product should be sealed and stored in a dry and dark place.

synthesis method

none

purpose

organic synthesis. used medicinally as a basic anesthetic.

4. surface tension (dyne/cm)：64.8

5. polarizability（10^-24cm³):14.27

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 20.2

7. number of heavy atoms: 6

8. surface charge: 0

9. complexity: 38.5

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

none

storage method

this product should be sealed and stored in a dry and dark place.

synthesis method

none

purpose

organic synthesis. used medicinally as a basic anesthetic.