Tetrabromocatechol

Structural formula

Business number	053R
Molecular formula	C6H2Br4O2
Molecular weight	425.7
label	Tetrabromopyrocatechol, C6Br4-1,2-(OH)2

• 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