bis(p-nitrophenyl)disulfide
structural formula
| business number | 02hp |
|---|---|
| molecular formula | c12h8n2o4s2 |
| molecular weight | 308.33 |
| label |
4,4′-dinitrodiphenyl disulfide, 4,4′-dinitrodiphenyldisulfide, (o2nc6h4)2s2, p-nitrophenyldisulfide, p,p’-dinitrodiphenyl disulfide, 4,4′-dinitro diphenyl disulfide, 4-nitrophenyl disulfide, 4-nitrophenyl sulfide, bis(p-nitrophenyl) disulfide, bis(4-nitrophenyl) disulfide, di(4-nitrophenyl) disulfide |
numbering system
cas number:100-32-3
mdl number:mfcd00003573
einecs number:202-840-5
rtecs number:jo1550000
brn number:none
pubchem id:none
physical property data
none yet
toxicological data
1. other multiple dose toxicity: rat oral tdlo: 1078mg/kg/7d-i; 2. mutagenicity: mutant microbial test: bacteria – salmonella typhimurium, 50μg/plate;
ecological data
none yet
molecular structure data
1. molar refractive index: 79.55
2. molar volume (cm3/mol): 201.7
3. isotonic specific volume (90.2k ): 596.3
4. surface tension (dyne/cm): 76.3
5. dielectric constant:
6. dipole moment (10-24cm3):
7. polarizability: 31.53
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3.7
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 6
4. number of rotatable chemical bonds: 3
5. number of tautomers: none
6. topological molecule polar surface area 142
7. number of heavy atoms: 20
8. surface charge: 0
9. complexity: 308
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
