phenoxazine

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:135-67-1

mdl number:mfcd00005014

einecs number:205-210-8

rtecs number:none

brn number:143234

pubchem number:24887215

physical property data

none

toxicological data

none

ecological data

none

molecular structure data

molecular property data:

1、 molar refractive index54.13

2、 molar volume（m³/mol):153.1

3、 isotonic specific volume（90.2k）：404.1

4、 surface tension(3.0 dyne/cm):48.5

5、 polarizability0.5 10^-24 cm³):21.46

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

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 21.3

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 187

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

colorless or light yellow needle-like crystals. 1 part of product is dissolved in 50 parts of ethanol. soluble in ether, benzene, soluble in mineral acid, the solution is yellow to red, almost insoluble in water. melting point: 171℃ (176~177℃). boiling point＞360℃.

storage method

keep sealed.

synthesis method

none

purpose

organic synthesis. biochemical research. dye intermediates.

family: arial; mso-font-kerning: 0pt”>): 21.46

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

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 21.3

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 187

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

colorless or light yellow needle-like crystals. 1 part of product is dissolved in 50 parts of ethanol. soluble in ether, benzene, soluble in mineral acid, the solution is yellow to red, almost insoluble in water. melting point: 171℃ (176~177℃). boiling point＞360℃.

storage method

keep sealed.

synthesis method

none

purpose

organic synthesis. biochemical research. dye intermediates.