Resorcinol dibenzoate

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:94-01-9

MDL number:MFCD00016576

EINECS number:202-294-8

RTECS number:VH0590000

BRN number:2059467

PubChem ID:None

Physical property data

1. Character: flake crystal.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 117

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor Pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Soluble in absolute ethanol and ether.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 89.54

2. Molar volume (cm³/mol): 256.2 ±

3. Isotonic specific volume (90.2 K): 682.0

4. Surface tension (dyne/cm): 50.1

5. Polarizability (10-24cm3): 35.49

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 6

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 52.6

7. Number of heavy atoms: 24

8. Surface charge: 0

9 , Complexity: 383

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Uncertain atomic configuration Number of centers: 0

13. Number of determined stereocenters of chemical bonds: 0

14. Number of uncertain stereocenters of chemical bonds: 0

15. Covalent Number of key units: 1

Properties and stability

None yet

Storage method

This product should be kept sealed.

Synthesis method

None yet

Purpose

Make dyes. Organic Synthesis.