1,2,4,5-Tetrabromobenzene

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: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