Structural formula
| Business number | 01QY |
|---|---|
| Molecular formula | C12H9ClO3S |
| Molecular weight | 268.72 |
| label |
Sodium 4-chlorophenyl alkyl benzene sulfonate, 4-Chlorophenyl benzenesulfonate, Acaricide |
Numbering system
CAS number:80-38-6
MDL number:MFCD00055414
EINECS number:201-274-6
RTECS number:DB5600000
BRN number:2696927
PubChem number:24868989
Physical property data
1. Physical property data
1. Character: Uncertain.
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC): Unsure
5. Boiling point (ºC,Normal pressure): Uncertain
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Uncertain
8. Flash Point (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
Nurture animalsLD50：1300 mg/kg;
2, Neurotoxicity
Rabbit skin test: 500mg/24H; Rabbit eye test: 100mg/24H;
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 66.81
2. Molar Volume (m3/mol）：195.0
3. isotonic specific volume (90.2K):514.5
4. Surface Tension (dyne/cm):48.4
5. Polarizability（10-24cm3):26.50
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: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 51.8
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 322
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
5. Polarizability(10-24cm3): 26.50
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: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 51.8
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 322
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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