2,4-Disulfonic acid aniline
Structural formula
| Business number | 03RN |
|---|---|
| Molecular formula | C6H7NO6S2 |
| Molecular weight | 253.25 |
| label |
4-amino-1,3-benzenedisulfonic acid, Aniline-2,4-disulfonic acid, 4-Amino-1,3-benzenedisulfonic acid, Heterocyclic compounds |
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