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
• 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.