p-tolyl disulfide p-tolyl disulfide

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:103-19-5

mdl number:mfcd00008547

einecs number:203-087-5

rtecs number:jo1526250

brn number:none

pubchem number:24900182

physical property data

1. characteristics: undetermined

2. density (g/ml, 25℃): undetermined

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

4. melting point (ºc): 43-46

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

6. boiling point (ºc, 5mmhg): not determined

7. refractive index: not determined

8. flash point (ºc): not determined

9. specific rotation degree (º): undetermined

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

11. vapor pressure (mmhg, 20ºc): undetermined

12. saturated vapor pressure (kpa, 30ºc): 0.16×10-5

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

19. solubility : undetermined

toxicological data

other multiple dose toxicity: rat oral tdlo: 431mg/kg/7d-i;

ecological data

none yet

molecular structure data

1. molar refractive index: 76.73

2. molar volume (cm³/mol): 210.4

3. isotonic specific volume (90.2k ): 558.7

4. surface tension (dyne/cm): 49.7

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 30.42

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 50.6

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 167

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