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