2-chloroethyl p-toluenesulfonate 2-chloroethyl 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:80-41-1

mdl number:mfcd00000970

einecs number:201-277-2

rtecs number:xt6475000

brn number:none

pubchem number:24846792

physical property data

1. physical property data

1. characteristics: colorless liquid

2. density (g/ml,25/4℃)：1.294（20/4℃),

3. relative vapor density (g/ml,air=1): unsure

4. melting point (ºc): unsure

5. boiling point (ºc,normal pressure):210℃（ 2.8kpa)

6. boiling point (ºc,5.2kpa):153℃（ 40pa),

7. refractive index:1.5290

8. flash point (ºc): unsure

9. specific optical rotation (º): unsure

10. autoignition point or ignition temperature (ºc): unsure

ld50: 498mg/kg;

2, neurotoxicity

rabbit eye test: 500mg/24h;

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 56.02

2. molar volume (m³/mol）：181.7

3. isotonic specific volume (90.2k):460.9

4. surface tension (dyne/cm):41.3

5. polarizability（10^-24cm³):22.21

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: 4

5. number of tautomers: none

6. topological molecule polar surface area 51.8

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 250

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

none yet

synthesis method

none yet

purpose

none yet

ign: left; tab-stops: list 36.0pt; mso-list: l0 level2 lfo1; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>5. polarizability(10^-24cm³):22.21

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: 4

5. number of tautomers: none

6. topological molecule polar surface area 51.8

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 250

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

none yet

synthesis method

none yet

purpose

none yet