BDMAEE

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
• 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: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

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Purpose

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