2-Chloroethyl ethyl sulfide
Structural formula
| Business number | 079P |
|---|---|
| Molecular formula | C4H9ClS |
| Molecular weight | 124.63 |
| label |
2-Chloroethyl ethyl sulfide, 2-Chloroethyl ethyl sulfide, ClCH2CH2SC2H5, aliphatic compounds |
Numbering system
CAS number:693-07-2
MDL number:MFCD00000979
EINECS number:211-742-1
RTECS number:WQ3250000
BRN number:None
PubChem number:24854575
Physical property data
1. Characteristics: colorless or light yellow transparent liquid.
2. Density (g/mL,25/4℃): 1.07
3. Relative vapor density (g/mL,AIR=1): 4.27
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,Normal pressure): 156-157
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: 1.4875-1.4895
8. Flash point (ºC ): 52
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): 0.5
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient of water: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: slightly soluble in water.
Toxicological data
1, acute toxicity: Rat (oral) LD50: 252 mg/kg
Mouse (subcutaneous) LDLo: 25 mg/kg
Since the LD50 of table salt is 3,000 mg/kg, BPA has the same degree of acute toxicity as table salt.
Ecological data
Usually not harmful to water, Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 33.42 2. Molar volume（m3/mol）：119.9 3. isotonic ratio（90.2K）：280.3 4. Surface Tension（dyne/cm）：29.8 5. Dielectric constant: 6. Dipole moment（10-24cm3)： 7. Polarizability: 13.25
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 25.3
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 23.5
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
Keep away from oxides and strong bases.
Storage method
Store in an airtight container and place Store in a cool, dry place. Store away from oxidizing agents. Keep away from sources of fire.
Synthesis method
None yet
Purpose
Pharmaceutical intermediates