Keywords

• Blue Black R
• MFCD00068277
• EINECS 219-810-2

Quick Details

• ProName: Free Sample CAS 2538-85-4 calcon
• CasNo: 2538-85-4
• Molecular Formula: C20H13N2NaO5S
• Appearance: Dark brown to black Powder
• Application: Used as a complex indicator for the de...
• DeliveryTime: 3-5days
• PackAge: Barreled
• Port: shanghai
• ProductionCapacity: 5000 Metric Ton/Year
• Purity: 99%
• Storage: Store at +5°C to +30°C.
• Transportation: Store at +5°C to +30°C.
• LimitNum: 1 Kilogram
• Place of Origin: China

Superiority

Details

Physicochemical properties
Molecular formula: C20H13N2NaO5S
Molecular weight: 416.382
Exact quality: 416.044281
PSA: 130.76000
LogP: 5.80450
Appearance: dark brown to purple powder
Storage conditions    
Keep the container tightly closed, put it in a tight container, and store in a cool, dry place
Stability
Stable under normal temperature and pressure, avoid oxide contact
Water solubility 20 g/L (20 ºC)

Computational Chemistry
1. Hydrophobic parameter calculation reference value (XlogP):

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 11

6. Topological molecular polar surface area (TPSA): 119

7. Number of heavy atoms: 29

8. Surface charge: 0

9. Complexity: 791

10. Number of isotope atoms: 0

11. Determine the number of atomic stereo centers: 0

12. Uncertain number of atomic stereo centers: 0

13. Determine the number of chemical bond stereo centers: 1

14. Uncertain number of chemical bond stereo centers: 0

15. Number of covalent bond units: 2