tribromoethanol 2,2,2-tribromoethanol
structural formula
| business number | 01k5 |
|---|---|
| molecular formula | c2h3br3o |
| molecular weight | 282.76 |
| label |
2,2,2-tribromoethanol, tribromethanol, ethobrome, beta-tribromoethyl alcohol, 2,2,2-tribromoethyl alcohol, br3cch2oh |
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.