o-mehoxybiphenyl o-mehoxybiphenyl

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:86-26-0

mdl number:mfcd00008367

einecs number:201-659-9

rtecs number:bz8835000

brn number:2045749

pubchem number:24851761

physical property data

1. physical property data

1. character: uncertain.

2. density (g/ml,25/4℃):1.023

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

4. melting point (ºc):30-33 °c

5. boiling point (ºc,normal pressure):274 °c

6. boiling point (ºc,5.2kpa): unsure

7. refractive index:1.61

8. flashpoint (ºc):>230 °f

9. specific optical rotation (º): unsure

10. autoignition point or ignition temperature (ºc): unsure

11. vapor pressure (kpa,25ºc): unsure

2, neurotoxicity:

rabbit skin test: 500 mg/24hreaction;

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 57.52

2. molar volume (m³/mol）：178.7

3. isotonic specific volume (90.2k):437.3

4. surface tension (dyne/cm):35.8

5. polarizability（10^-24cm³):22.80

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: 2

5. number of tautomers: none

6. topological molecule polar surface area 9.2

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 161

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet

an style=”font-size: 9pt; font-family: 宋体; mso-ascii-font-family: arial; mso-hansi-font-family: arial; mso-bidi-font-family: arial”>polarizability （10^-24cm³):22.80

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: 2

5. number of tautomers: none

6. topological molecule polar surface area 9.2

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 161

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet