p-Xylenol Blue p-Xylenol Blue
Structural formula
| Business number | 03JQ |
|---|---|
| Molecular formula | C23H22O5S |
| Molecular weight | 410.48 |
| label |
Xylenol Blue, p-Xylenolsulfonephthalein |
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.