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
