2,4-disulfonic acid aniline

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:137-51-9

mdl number:none

einecs number:205-299-3

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：51.06

2, molar volume（m³/mol):137.2

3、 isotonic ratio（90.2k）：423.1

4、 surface tension(3.0 dyne/cm) ：90.2

5、 polarizability（0.5 10^-24cm³):20.24

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 7

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 152

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 416

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 sulfonation of p-aminobenzene sulfonic acid through fuming sulfuric acid. put 20% into the sulfonation pot20%oleum, with stirring slowly add dry p-aminobenzene sulfonic acid, and control the temperature during addition50℃, add ingredients and stir20min, then warm to 60℃, insulation1h, and then up to80℃insulation1h, and then raised to 100 ℃, insulation 1h, and finally upgraded to 128℃, insulating5h, sampling and verification (take samples10 ^-24cm³):20.24

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 7

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 152

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 416

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 sulfonation of p-aminobenzene sulfonic acid through fuming sulfuric acid. put 20% into the sulfonation pot20%oleum, with stirring slowly add dry p-aminobenzene sulfonic acid, and control the temperature during addition50℃, add ingredients and stir20min, then warm to 60℃, insulation1h, and then up to80℃insulation1h, and then raised to 100 ℃, insulation 1h, and finally upgraded to 128℃, insulating5h, sampling and verification (take samples2ml, diluted in40mlin distilled water, shake to make it whole dissolve, subject to obtaining a clear solution). again128℃stir3h, then cool to 75℃discharge, yield98%

purpose

can be used as dye intermediate

n lang=en-us style=”color: #333333; font-family: times new roman; mso-bidi-font-size: 10.5pt”>2ml, diluted in40mldistilled water, shake to completely dissolve, subject to a clear solution). again128℃stir3h, then cool to 75℃discharge, yield98%

purpose

can be used as dye intermediate