coyne

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:480-40-0

MDL number:MFCD00006834

EINECS number:207-549-7

RTECS number:LK8329050

BRN number:233276

PubChem number:24893009

Physical property data

1. Character:Light yellow powder

2. Density (g/ m³,25/4℃): Undetermined

3. Relative vapor density (g/cm³ ,AIR=1): Undetermined

4. Melting point (ºC):284-286

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 optical rotation (º): Undetermined

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

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

12. Saturation vapor pressure (kPa,60ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined

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

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

19. Solubility: Undetermined

Toxicological data

Mutagenicity data: inhibitionTEST system for DNA: human fibroblasts: 100ml/L

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1, Molar refractive index:

2、 Molar Volume（m³/mol)：176.1

3、 Isotonic specific volume (90.2K):506.1

4、 Surface tension（dyne/cm）：68.2

5、 Polarizability(10^-24cm³）：26.94

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: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 12

6. Topological molecule polar surface area 66.8

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 384

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

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

None yet

Purpose

Synthesize raw materials for anti-cancer, lowering blood lipids, preventing cardiovascular and cerebrovascular diseases, antibacterial, anti-inflammatory and other pharmaceutical ingredients.