2,5-Dichloro-4-aminobenzenesulfonic acid
Structural formula
| Business number | 01ZL |
|---|---|
| Molecular formula | C6H5Cl2NO3S |
| Molecular weight | 242.08 |
| label |
4-amino-2,5-dichlorobenzenesulfonic acid; 2,5-dichloroaniline-4-sulfonic acid; 2,5-dichlorobenzenesulfonic acid, 4-Amino-2,5-dichlorobenzenesulfonic acid; 2,5-Dichlorosulfanilic Acid |
Numbering system
CAS number:88-50-6
MDL number:MFCD00025159
EINECS number:201-836-0
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Appearance: white paste
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 50.37
2. Molar volume (cm3/mol): 138.3
3. Isotonic specific volume (90.2K ): 402.4
4. Surface tension (dyne/cm): 71.5
5. Polarizability (10-24cm3): 19.97
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.2
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 88.8
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 276
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 sulfonating 2,5-dichloroaniline with 65% fuming sulfuric acid.
Purpose
Dye intermediates. It can be used to synthesize pyrazolone-type synthetic dyes, such as acid yellow GR, etc.