p-Methoxybenzenesulfonyl Chloride p-Methoxybenzenesulfonyl Chloride
Structural formula
| Business number | 02ED |
|---|---|
| Molecular formula | C7H7ClO3S |
| Molecular weight | 206.65 |
| label |
4-Methoxybenzenesulfonate chloride, p-Methoxybenzene sulfonate chloride, 4-Methoxybenzenesulfonyl chloride, Ch3oc6h4so2cl |
Numbering system
CAS number:98-68-0
MDL number:MFCD00007446
EINECS number:202-692-1
RTECS number:None
BRN number:609005
PubChem number:24883568
Physical property data
1. Properties: white powder.
2. Density (g/mL, 25℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 39-42
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 14mmHg): 173
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7. Refractive index: Undetermined
8. Flash point (ºC): >110
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 40ºC): Not determined
12. Saturated vapor pressure ( kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined
17. Explosion upper limit (%, V/ V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None yet
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 46.76
2. Molar volume (cm3/mol): 150.0
3. Isotonic specific volume (90.2K ): 380.8
4. Surface tension (dyne/cm): 41.4
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 18.53
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: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 51.8
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 224
10. Number of isotope atoms: 0
11. Determined number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with water, strong oxidants, and alkalis.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire, heat and water sources. They should be stored separately from oxidants and alkalis, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None yet
Purpose
Used as pharmaceutical intermediates
