4-amino-4′-nitrodiphenyl sulfide 4-amino-4′-nitrodiphenyl sulfide
structural formula
| business number | 02kt |
|---|---|
| molecular formula | c12h10n2o2s |
| molecular weight | 246.29 |
| label |
4-(4-nitrophenylthio)aniline, 4-aminophenyl 4-nitrophenyl sulfide, h2nc6h4sc6h4no2 |
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
