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
