Ethyl p-toluenesulfonate Ethyl p-toluenesulfonate

Structural formula

• 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:80-40-0

MDL number:MFCD00009100

EINECS number:201-276-7

RTECS number:XT6825000

BRN number:611213

PubChem number:24889268

Physical property data

1. Characteristics: colorless monoclinic crystal

2. Density (g/mL):1.166（46/ 6℃)

3. Relative vapor density (g/mL,AIR=1): Unsure

4. Melting point (ºC):32 -33℃

5. Boiling point (ºC,Normal pressure):221.3℃

6. Boiling point (ºC):173 ℃（2.0kPa)

7. Refractive index:1.5110

8. Flash Point (ºC): 157℃

9. Specific optical rotation (º): Unsure

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

11.&rial; mso-hansi-font-family: Arial”>Molar volume (m³/mol):170.3

3. isotonic specific volume (90.2K):422.0

4. Surface Tension (dyne/cm):37.6

5. Polarizability（10^-24cm³):20.29

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 51.8

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 232

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

None yet

Storage method

This product should be sealedShadySave.

Synthesis method

It is obtained by the esterification of p-toluenesulfonyl chloride and ethanol. Add p-toluenesulfonyl chloride to absolute ethanol and heat to dissolve. in10-12℃Start slowly adding sodium hydroxide solution dropwise, the temperature does not exceed 15℃, measured every half hour1timespH Value, keep9.3-9.7reaction4h. Add ice water and cool to0℃, precipitation crystallization. Filter and dry to obtain ethyl p-toluenesulfonate.

Purpose

Used in organic synthesis as an ethylating agent, used in the pharmaceutical industry to produce benzyl ammonium bromide, and also used as photosensitive materials intermediate. This product is a toughening agent for acetate fiber.

�� obtained. Add p-toluenesulfonyl chloride to absolute ethanol and heat to dissolve. in10-12℃Start slowly adding sodium hydroxide solution dropwise, the temperature does not exceed 15℃, measured every half hour1timespH Value, keep9.3-9.7reaction4h. Add ice water and cool to0℃, precipitation crystallization. Filter and dry to obtain ethyl p-toluenesulfonate.

Purpose

Used in organic synthesis as an ethylating agent, used in the pharmaceutical industry to produce benzyl ammonium bromide, and also used as photosensitive materials intermediate. This product is a toughening agent for acetate fiber.

Used in organic synthesis as an ethylating agent, used in the pharmaceutical industry to produce benzyl ammonium bromide, and also used as photosensitive materials intermediate. This product is a toughening agent for acetate fiber.