dianthrone

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:434-85-5

mdl number:none

einecs number:207-106-8

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. character:yellow needle-shaped crystallization. both the crystals and the solution turn green when heated.

2. density (g/ml,25/4℃ ): undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc):335(closed tube)

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flashpoint (ºc): undetermined

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.oil and water (octanol/log value of partition coefficient (water): not determined

17.explosion limit (%,v/v): undetermined

18.lower explosion limit (%,v/v): undetermined

19.solubility:easily soluble in chloroform, soluble in hot acetophenone, slightly soluble in ethanol, insoluble in water and ether.

toxicological data

two , toxicological data:

acute toxicity:not available .

ecological data

three , ecological data:

1 ,other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.

molecular structure data

1 , molar refractive index:114.71

2 , molar volume (cm³/mol):288.0

3 , isotonic specific volume (90.2k):809.7

4 , surface tension (dyne/cm):62.4

5 , polarizability (10-24cm3): 45.47

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 5.7

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 34.1

7. number of heavy atoms: 30

8. surface charge: 0

9. complexity: 630

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

none yet

storage method

this product should be kept sealed.

synthesis method

none yet

purpose

organic synthesis.

resource:allhdi.com