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

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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