Toluene diisocyanate manufacturer Knowledge 2-Chloroethyl p-toluenesulfonate 2-Chloroethyl p-toluenesulfonate

2-Chloroethyl p-toluenesulfonate 2-Chloroethyl p-toluenesulfonate

2-Chloroethyl p-toluenesulfonate structural formula

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℃):1.29420/4℃),


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. Polarizability10-24cm3):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

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