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.
