phenoxazine
structural formula
| business number | 03qf |
|---|---|
| molecular formula | c12h9no |
| molecular weight | 183.21 |
| label |
10h-phenoxazine, 5,6-dibenzo-1,4-oxazine, 2,3,5,6-dibenzo-1,4-oxazine, aromatic compounds |
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.
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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.