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.

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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.