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.
