oxaline

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:471-47-6

mdl number:mfcd00008006

einecs number:207-443-0

rtecs number:none

brn number:1743294

pubchem number:24897983

physical property data

1. character:undetermined

2. density (g/ m³,25/4℃): undetermined

3. relative vapor density (g/cm³,air=1): undetermined

4. melting point (ºc):207-210

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

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

7. refractive index: undetermined

8. flash point (ºf): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

molar refractive index:16.44

2、 molar volume（m³/mol)：56.9

3、 isotonic specific volume (90.2k):167.6

4、 surface tension（dyne/cm)：74.9

5、 polarizability(10^-24cm³）：6.51

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -0.9

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 1

5. number of tautomers: 2

6. topological molecule polar surface area 80.4

7. number of heavy atoms: 6

8. surface charge: 0

9. complexity: 86.8

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

none yet

font-family: arial”>（dyne/cm )：74.9

5、 polarizability(10^-24cm³）：6.51

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -0.9

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 1

5. number of tautomers: 2

6. topological molecule polar surface area 80.4

7. number of heavy atoms: 6

8. surface charge: 0

9. complexity: 86.8

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

none yet