dibromobiphenyl 4,4′-dibromobiphenyl

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:92-86-4

mdl number:mfcd00000101

einecs number:202-198-6

rtecs number:none

brn number:2044701

pubchem number:24860793

physical property data

1. properties: brown oily substance.

2. gas phase standard entropy (j·mol^-1·k^-1): 468.1

3. gas phase standard hot melt (j·mol^-1·k^-1): 200.7

4. melting point (ºc): 168

5. boiling point (ºc, normal pressure): 355-360

6. boiling point (ºc, 666pa): 155～175

7. refractive index: undetermined

8. flash point (ºc): not determined

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. the logarithmic value of the oil-water (octanol/water) partition coefficient: undetermined

17. the upper limit of explosion (%, v/v): undetermined

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

19. solubility: soluble in benzene, slightly soluble in hot ethanol, insoluble in water

toxicological data

none

ecological data

molecular structure data

1. molar refractive index: 66.22

2. molar volume (cm³/mol): 187.0

3. isotonic specific volume (90.2k ): 481.6

4. surface tension (dyne/cm): 43.9

5. polarizability (10^-24cm³): 26.25

compute chemical data

1. calculation of hydrophobic parameterstest value (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms :14

8. surface charge: 0

9. complexity: 145

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

none

storage method

this product should be kept sealed.

synthesis method

obtained by bromination of biphenyl: contact biphenyl with bromine vapor for 8 hours to form an orange solid, and place it in a fume hood for more than 4 hours to obtain a crude product. the melting point is about 152℃. recrystallize it with benzene to obtain the finished product. the yield is 75%~77%.

purpose

used as intermediates for dyes and organic pigments