tetrabromocatechol

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:488-47-1

mdl number:mfcd00002189

einecs number:207-678-9

rtecs number:ux2430000

brn number:2051548

pubchem number:24900227

physical property data

1. character: undetermined

2. density (g/ m³,25/4℃): undetermined

3. relative vapor density (g/cm³,air=1): undetermined

4. melting point (ºc):189-193

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flash point (ºf): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

12. saturated vapor pressure (kpa,60ºc) : undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/water) distribution coefficient log value: undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: undetermined

toxicological data

acute toxicity: mice intravenously ld50: 42mg/kg, except no details other than lethal dose;

ecological data

this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

1、 molar refractive index:60.77

2、 molar volume（m³/mol)：151.0

3、 isotonic specific volume (90.2k):439.2

4、 surface tension（dyne/cm）：71.5

5、 polarizability(10^-24cm³）：24.09

compute chemical data

1. hydrophobic parameters calculate the reference value (xlogp):4

2. hydrogen bonding number of donors: 2

3. number of hydrogen bond acceptors:2

4. rotatable number of chemical bonds: 0

5. interchange number of isomers: 4

6. topological molecules polar surface area (tpsa):40.5

7. heavy atom quantity: 12

8. surface charge ：0

9. complexity :150

10. isotope atomic number:0

11. determine the number of atomic stereocenters:0

12. uncertain number of atomic stereocenters:0

13. determine the number of stereocenters of chemical bonds:0

14. uncertain number of chemical bond stereocenters:0

15. number of covalent bond units: 1

properties and stability

use and store according to specifications, no decomposition will occur, and avoid contact with oxides

storage method

keep sealed and placed in a ventilated, dry environment

synthesis method

none

purpose

none

resource:allhdi.com