p-xylenol blue p-xylenol blue

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:125-31-5

mdl number:mfcd00005870

einecs number:204-736-5

rtecs number:none

brn number:363132

pubchem id:none

physical property data

1. character: brown crystal (recrystallized from ethanol)

2. melting point: 212℃

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 110.87

2. molar volume (cm³/mol): 304.8

3. isotonic specific volume (90.2k): 842.3

4. surface tension (dyne/cm): 58.2

5. polarizability (10-24cm3): 43.95

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 2

5. number of tautomers: 45

6. topological molecule polar surface area 92.2

7. number of heavy atoms: 29

8. surface charge: 0

9. complexity: 671

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

basic properties: it is a sulfonphthalein pigment. there are two discoloration ranges: ph value 1.2 to 2.8 red to yellow; ph value 8.0 to 9.6 yellow to blue.

storage method

storage: store in a sealed container at room temperature.

synthesis method

brief description of the production method: in the presence of zinc chloride, it is produced by heating o-sulfodichlorobenzoic acid and p-xylenol

purpose

usage: used as acid-base indicator.