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
• 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: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