Structural formula of p-tetrabromoquinone

Structural formula of p-tetrabromoquinone

Structural formula

Business number 053S
Molecular formula C6Br4O2
Molecular weight 423.68




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


None yet


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