2-bromomesitylene

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:576-83-0

mdl number:mfcd00000073

einecs number:209-405-9

rtecs number:none

brn number:1907245

pubchem number:24850496

physical property data

1. character: liquid. evaporates in steam.

2. density (g/ml,25/4 ℃): 1.301

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc ): 2

5. boiling point (ºc,normal pressure): 225

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index:1.5511

8. flash point (ºc): 96

9. specific 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 the partition coefficient (water): undetermined

17. explosion upper limit (%,v/v): not ok

18. lower explosion limit (%,v/v): undetermined

19. solubility:soluble in benzene and ether, insoluble in water.

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 48.41

2. molar volume (m³/mol）：154.4

3. isotonic specific volume (90.2k): 370.7

4. surface tension (dyne/cm):33.1

5. polarizability（10^-24cm³):19.19

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.7

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: 99.3

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

storage method

this product should be sealed store in a cool place.

synthesis method

mesitylene is obtained by bromination of mesitylene.

purpose

for organic synthesis.

resource:allhdi.com