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Tribromoethanol

Tribromoethanol structural formula

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): 7982


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


12. Saturated vapor pressure ( kPa,60ºC): Undetermined


13. Heat of combustion (KJ/mol): Not OK


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol /water) distribution coefficient The logarithmic value of : undetermined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V) : Undetermined


19. Solubility: Easy Soluble in water and pentene, soluble in ethanol, ether, benzene and hot petroleum ether,40Soluble in 40share water. Aqueous solutions and alcohol solutions decompose when exposed to light and form highly irritating dibromoacetaldehyde and hydrobromic acid.



Toxicological data

1, acute toxicity


Rat caliberLD50:1mg/kg


Mouse subcutaneousLD50:530mg/kg


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. Polarizability10-24cm3):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.

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