4-acetoxybiphenyl

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:148-86-7

mdl number:mfcd00014979

einecs number:none

rtecs number:none

brn number:1872019

pubchem number:24865777

physical property data

1. physical property data:

1. melting point (ºc): 87-89 ºc

2. boiling point (ºc,normal pressure): 196 ºc

3. flashpoint (ºc):196 ºc

toxicological data

none

ecological data

3. ecological data:

other harmful effect: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

5. molecular property data:

1. molar refractive index:62.18

2. molar volume (m³/mol):231.2

3. isotonic specific volume (90.2k):192.3

4. surface tension (dyne/cm):482.1

5. polarizability(10^-24cm³）：39.4

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: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 26.3

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 223

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

stable under normal temperature and pressure.

storage method

seal and store in a dry and cool place.

synthesis method

none

purpose

none

auto; tab-stops: list 36.0pt 72.75pt” align=left>4. surface tension (dyne/cm ): 482.1

5. polarizability(10^-24cm³）：39.4

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: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 26.3

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 223

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

stable under normal temperature and pressure.

storage method

seal and store in a dry and cool place.

synthesis method

none

purpose

none