Structural formula
| Business number | 02BZ |
|---|---|
| Molecular formula | C12H8Cl2O2S |
| Molecular weight | 287.16 |
| label |
Bis-(2-hydroxy-5-chlorophenyl) sulfide, 2,2′-Dihydroxy-5,5′-dichlorodiphenyl Sulfide, Bis(5-chloro-2-hydroxyphenyl) Sulfide |
Numbering system
CAS number:97-24-5
MDL number:MFCD00031479
EINECS number:202-568-7
RTECS number:SN0350000
BRN number:None
PubChem ID:None
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): 175
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 ( º): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20.2ºC): Not determined
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
Toxicological data
Acute toxicity: mouse peritoneal cavity LDL0: 250mg/kg;
Ecological data
None
Molecular structure data
1. Molar refractive index: 72.18
2. Molar volume (cm3/mol): 180.7
3. Isotonic specific volume (90.2K ): 534.5
4. Surface tension (dyne/cm): 76.4
5. Polarizability (10-24cm3): 28.61
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.5
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 5
6. Topological molecule polar surface area 65.8
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 231
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. Uncertain number of stereocenters of chemical bonds: 0
15. Covalency??Number of units: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
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