2,5-Dichloro-4-aminobenzenesulfonic 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: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.