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.