2-bromoethylbenzene (2-bromoethyl)benzene

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:103-63-9

mdl number:mfcd00000240

einecs number:203-130-8

rtecs number:cy9032000

brn number:507487

pubchem id:none

physical property data

1. properties: liquid.

2. density (g/ml, 25/4℃): 1.366

3. relative density (25℃, 4℃): 1.3587

4 . melting point (ºc): -55.9

5. boiling point (ºc, normal pressure): 217.5

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

7. refractive index: 1.5473

8. flash point (ºc): 71

9. specific rotation (º): undetermined

10 . autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (kpa, 25ºc): not determined

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: miscible with most organic solvents, slightly soluble in water.

toxicological data

acute toxicity: rat oral ld50: 811mg/kg;

ecological data

this substance is slightly hazardous to water.

molecular structure data

1. molar refractive index: 43.53

2. molar volume (cm³/mol): 135.4

3. isotonic specific volume (90.2k ): 336.0

4. surface tension (dyne/cm): 37.8

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 17.25

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: 2

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 65

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

avoid contact with strong oxidizing agents.

storage method

synthesis method

obtained from the reaction of phenylethyl alcohol and hydrogen bromide. heat phenyl alcohol to 110°c, slowly introduce hydrogen bromide, and reflux the reaction. after the reaction is completed, cool and wash with water, 10% sodium carbonate solution, and water in sequence. dry with anhydrous potassium carbonate and fractionate under reduced pressure to collect the 97-99°c (2.0kpa) fraction with a yield of over 90%.

purpose

used as pharmaceutical and pesticide intermediates