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:92-80-8

MDL number:None

EINECS number:202-191-8

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: light yellow to light yellow brown crystals or crystalline powder

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

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

4. Melting point (oC): 146

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

p>

6. Boiling point (oC, 5.2kPa): Not determined

7. Refractive index: Not determined

8. Flash point (oC): Not determined

p>

9. Specific optical 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. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Slightly soluble in water, soluble in ethanol, acetone

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 65.76

2. Molar volume (cm³/mol): 176.3

3. Isotonic specific volume (90.2K ): 495.7

4. Surface tension (dyne/cm): 62.4

5. Polarizability (10-24cm3): 26.07

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 9

6. Topological molecule polar surface area 69.6

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 269

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. Uncertain Chemistry?Number of stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

None

Purpose

Organic Synthesis.

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