1,2,4,5-Tetrabromobenzene
Structural formula
| Business number | 0700 |
|---|---|
| Molecular formula | C6H2Br4 |
| Molecular weight | 393.70 |
| label |
Tetrabromobenzene, Tetrabromobenzene, aromatic hydrocarbons, Halogenated hydrocarbons |
Numbering system
CAS number:636-28-2
MDL number:MFCD00000063
EINECS number:211-253-3
RTECS number:None
BRN number:1365830
PubChem number:24856808
Physical property data
1. Characteristics: prism needle crystal.
2. Density (g/mL,25/4℃): 3.072
3. Relative vapor density ( g/mL,Air =1): Not OK
4. Melting point (ºC): 182
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: undetermined
8. Flashpoint (ºC): Not OK
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/Log value of partition coefficient (water): undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: soluble in benzene, slightly soluble in ethanol, insoluble in water.
Toxicological data
1, acute toxicity: Mouse (peritoneal) LDLo: 1,300 mg/kg;
Rat (peritoneal)LD50： 1,071mg/kg
Since the LD50 of table salt is 3,000 mg/kg, BPA has the same degree of acute toxicity as table salt.
Ecological data
Usually for Water is not hazardous and materials should not be discharged into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 57.01
2. Molar volume (m3/mol):154.1
3. isotonic specific volume (90.2K):409.2
4. Surface Tension (dyne/cm):49.6
5. Polarizability（10-24cm3):22.60
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 90.3
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
Keep away from oxidizing agents.
Storage method
Stored in Seal the container and place in a cool, dry place. Store away from oxidizing agents.
�Compilation method
None
Purpose
Organic Synthesis