2-chloroethyl p-toluenesulfonate 2-chloroethyl p-toluenesulfonate
structural formula
| business number | 01r1 |
|---|---|
| molecular formula | c9h11clo3s |
| molecular weight | 234.7 |
| label |
none |
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
