Structural formula
| Business number | 02VJ |
|---|---|
| Molecular formula | C4H8O3S |
| Molecular weight | 136.17 |
| label |
1,4-thioxane-1,1-dioxane, 4,4-dioxo-1,4-oxathiane, 4,4-Dioxo-1,4-oxathiane, 1,4-Thioxane 1,1-Dioxide, Oxathiane4,4-Dioxide, P-Thioxanesulfone, Thioxanesulfone, Usafdo-38, 1,4-Oxathiane 4,4-Dioxide, 1,4lambda6-Oxathiane-4,4-Dione, 1,4-Thioxane 1,1-Dioxide, 4,4-Dioxo-1,4-Oxathiane |
Numbering system
CAS number:107-61-9
MDL number:MFCD00011683
EINECS number:203-507-7
RTECS number:RP4375000
BRN number:110609
PubChem ID:None
Physical property data
1. Properties: white crystalline powder.
2. Density (g/mL, 25℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 131-133
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, kPa): Undetermined
7. Refractive index (D20): Not determined
8. Flash point (ºC): Not determined
8. p>
9. Specific rotation (ºC): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg , ºC): Undetermined
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
1. Acute toxicity: mouse intraperitoneal LD50: 200mg/kg;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 29.07
2. Molar volume (cm3/mol): 104.0
3. Isotonic specific volume (90.2K ): 257.3
4. Surface tension (dyne/cm): 37.4
5. Polarizability (10-24cm3): 11.52
Compute chemical data
1. Reference value for calculation of hydrophobic parameters (XlogP): -0.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 51.8
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 141
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
Avoid contact with strong oxidizing agents.
Storage method
Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None
Purpose
None
