4-amino-4′-nitrodiphenyl sulfide 4-amino-4′-nitrodiphenyl sulfide

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:101-59-7

mdl number:mfcd00007881

einecs number:202-957-1

rtecs number:wp9640000

brn number:none

pubchem number:24891154

physical property data

1. characteristics: undetermined

2. density (g/ml, 20℃): undetermined

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

4. melting point (ºc): 143-145

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

6. boiling point (ºc, kpa): 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, 20.2ºc): undetermined

p>

12. saturated vapor pressure (kpa, ºc): 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. explosion lower limit (%, v/v): undetermined

19. solubility: undetermined ok

toxicological data

1. acute toxicity: intravenous injection of mice ld50: 180 mg/kg; 2. mutagenicity: mutation microbial test: bacteria – salmonella typhimurium, 25 μg/plate;

ecological data

none yet

molecular structure data

1. molar refractive index: 69.12

2. molar volume (cm³/mol): 179.5

3. isotonic specific volume (90.2k ): 514.8

4. surface tension (dyne/cm): 67.5

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 27.40

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 97.1

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 254

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12.the number of uncertain stereocenters of atoms: 0

13. the number of determined stereocenters of chemical bonds: 0

14. the number of uncertain stereocenters of chemical bonds: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet