pentachlorothiophenol

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:133-49-3

mdl number:mfcd00059146

einecs number:205-107-8

rtecs number:dc1925000

brn number:none

pubchem number:24897398

physical property data

none yet

toxicological data

skin/eye irritation data

rabbit eye contact :500mg/24hmild reaction

acute toxicity data ：

mouse abdominal cavity ld50：100mg/kg

ecological data

none yet

molecular structure data

5. molecular property data:

1、 molar refractive index：55.62

2, molar volume（m³/mol):161.1

3, isotonic specific volume（90.2k）：422.4

4, surface tension（3.0 dyne/cm span>): 47.2

5, polarizability（ 0.5 10^-24cm³): 22.05

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 5.2

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 0

5. number of tautomers: 2

6. topological molecule polar surface area 1

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 150

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

ning: 0pt; mso-fareast-font-family: arial”>5, polarizability（0.5 10 ^-24cm³):22.05

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 5.2

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 0

5. number of tautomers: 2

6. topological molecule polar surface area 1

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 150

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