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
