2-Chloroethyl methyl sulfide

Structural formula

Business number	05LS
Molecular formula	C3H7ClS
Molecular weight	110.61
label	1-Chloro-2-(methylsulfanyl)ethane, 1-Chloro-2-(methylthio)ethane, 2-(Methylthio)ethyl chloride, 1-chloro-2-methylsulfanyl-ethane

• 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:542-81-4

MDL number:MFCD00000978

EINECS number:208-828-6

RTECS number:None

BRN number:1731033

PubChem number:24854574

Physical property data

1. Character: liquid

2. Density (g/ cm³,25/4℃):1.11

3. Relative vapor density (g/cm³,AIR=1): Not OK

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,Normal pressure):55-56

6. Boiling point (ºC,66.70kPa): Undetermined

7. Refractive index:1.496

8. Flash point (ºF):108

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturation vapor pressure (kPa,55.1ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. oil���(octanol/Log value of partition coefficient (water): undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility:Undetermined

Toxicological data

None yet

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index���28.79

2. Molar volume (m³/mol):103.4

3. Isotonic specific volume (90.2K): 240.6

4. Surface tension (dyne/cm): 29.3

5. Polarizability（10^-24 cm³):11.41

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 25.3

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 16.4

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

flammable liquid with pungent odor.

Storage method

Stored at 2-8°C in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

β-Hydroxyethyl methyl sulfide is dissolved in dry chloroform, Add dropwise a solution of thionyl chloride and chloroform. Keep stirring and heating when adding materials, and continue the reaction after adding materials4h SPAN>. Then evaporate to recover chloroform, distill under reduced pressure, and collect55-56℃（4.0kPa) fraction, get2-Chloroethyl methyl sulfide. Yield75-85%.

Purpose

Organic synthesis intermediates.

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