4-nitrobenzenesulfonic acid

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:138-42-1

mdl number:mfcd00041886

einecs number:205-329-5

rtecs number:none

brn number:none

pubchem id:none

physical property data

none

toxicological data

none

ecological data

none

molecular structure data

molecular property data:

1、 molar refractive index：43.13

2, molar volume（m³/mol):124.0

3, isotonic specific volume（90.2k）：357.3

4, surface tension（3.0 dyne/cm):68.8

5, polarizability（0.5 10^-24 cm³):17.10

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp):0.8

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 1

5. number of tautomers:

6. topological molecular polar surface area (tpsa):97.5

7. number of heavy atoms: 13calculate chemical data

1. reference value for hydrophobic parameter calculation (xlogp):0.8

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 1

5. number of tautomers:

6. topological molecular polar surface area (tpsa):97.5

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 279

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. the number of uncertain atomic stereocenters: 0

13. determine the number of stereocenters of chemical bonds: 0

14. uncertain number of chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

prepared from the hydrolysis of p-nitrobenzene sulfonyl chloride.

purpose

this product is an organic synthesis intermediate.

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8. surface charge: 0

9. complexity: 279

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. the number of uncertain atomic stereocenters: 0

13. determine the number of stereocenters of chemical bonds: 0

14. uncertain number of chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

prepared from the hydrolysis of p-nitrobenzene sulfonyl chloride.

purpose

this product is an organic synthesis intermediate.

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