pentachlorothiophenol
structural formula
| business number | 03p3 |
|---|---|
| molecular formula | c6hcl5s |
| molecular weight | 282.40 |
| label |
pentachlorobenzenethiol, peptizer pctp, pentachlorothiophenol, aromatic compounds |
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
