Structural formula
| Business number | 053S |
|---|---|
| Molecular formula | C6Br4O2 |
| Molecular weight | 423.68 |
| label |
Tetrabromoquinone, Tetrabromo-1,4-benzoquinone, p-Tetrabromoquinone |
Numbering system
CAS number:488-48-2
MDL number:MFCD00013785
EINECS number:207-679-4
RTECS number:DK6772500
BRN number:1912183
PubChem ID:None
Physical property data
1. Characteristics: Undetermined
2. Density (g/ m3, 25/4℃): Undetermined
3. Relative Vapor density (g/cm3, air=1): Undetermined
4. Melting point (ºC): 300
5. Boiling point (ºC, Normal pressure): Not determined
6. Boiling point (ºC, 5.2kPa): Not determined
7. Refractive index: Not determined
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) logarithmic value of the distribution coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V) : Undetermined
19. Solubility: Undetermined
Toxicological data
Acute toxicity: Mouse intraperitoneal LD: >500mg/kg, no details except 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: 58.26
2. Molar volume (cm3/mol): 135.4
3. Isotonic specific volume (90.2K ): 422.7
4. Surface tension (dyne/cm): 94.8
5. Polarizability (10-24cm3): 23.09
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.6
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 34.1
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 278
10. Number of isotope atoms: 0
11. ConfirmDetermined number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determined number of chemical bond stereocenters: 0
14. Number of uncertain 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
Seal and store in a ventilated, dry environment
Synthesis method
None yet
Purpose
None yet
