β-bromophene

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:589-10-6

mdl number:mfcd00000234

einecs number:209-634-4

rtecs number:none

brn number:508290

pubchem number:24892007

physical property data

1. properties: liquid or solid.

2. density (g/ml, 25/4℃): undetermined

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

4. melting point (ºc): 34

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

6. boiling point (ºc, 5.33kpa): 144

7. refractive index: undetermined

8. flash point (ºc): 65

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

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

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

19. solubility: easily soluble in ethanol and ether, insoluble in water.

toxicological data

none

ecological data

none

molecular structure data

none

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: 1

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 9.2

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 79.3

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

irritant to eyes, respiratory system and skin.

storage method

this product should be sealed and stored in a cool place.

synthesis method

obtained from the reaction of phenol and dibromoethane. stir and mix phenol, dibromoethane and sodium hydroxide in a reaction pot, react at 110°c for 6 hours, recover dibromoethane, the recovery amount is about 60%, wash with 5% sodium hydroxide solution and water, and separate take the oil layer, distill it under reduced pressure, and collect the 130-150°c (6.7kpa) fraction to obtain (2-bromoethoxy)benzene.

purpose

used in organic synthesis.

resource:allhdi.com