structural formula
| business number | 03ry |
|---|---|
| molecular formula | c7h7no4s |
| molecular weight | 201.20 |
| label |
4-carboxybenzenesulfonamide, benzoic acid 4-sulfamide, p-sulfonamidobenzoic acid, p-sulfonylbenzoic acid, aromatic compounds |
numbering system
cas number:138-41-0
mdl number:mfcd00007938
einecs number:205-327-4
rtecs number:dh6820000
brn number:1875393
pubchem number:24892374
physical property data
none
toxicological data
acute toxicity data :
rat abdominal cavity ld50：350mg/kg
mouse abdominal cavityld50:>1mg/kg
ecological data
none
molecular structure data
molecular property data:
1, molar refractive index：45.46
2, molar volume（m3/mol):130.9
3, isotonic specific volume（90.2k）：373.4
4, surface tension（3.0 dyne/ cm):66.2
5, polarizability（0.5 10 -24cm3):18.02
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 106
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 284
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
storage method
none
synthesis method
it is obtained by oxidizing p-toluenesulfonamide with potassium dichromate. another oxidation operation is to react p-toluenesulfonamide with potassium permanganate
purpose
used as an organic synthesis intermediate or for drug synthesis.
amily: arial”>5、 polarizability(0.5 10-24cm3): 18.02
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 106
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 284
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
storage method
none
synthesis method
it is obtained by oxidizing p-toluenesulfonamide with potassium dichromate. another oxidation operation is to react p-toluenesulfonamide with potassium permanganate
purpose
used as an organic synthesis intermediate or for drug synthesis.
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