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Structural formula

Business number	0259
Molecular formula	C12H8N2
Molecular weight	180.21
label	anthracene, Dibenzo[b,e]pyrazine

• 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:92-82-0

MDL number:MFCD00005023

EINECS number:202-193-9

RTECS number:SG1360000

BRN number:126500

PubChem number:24887204

Physical property data

1. Character:Colorless or light yellow needle-shaped crystal

2. Density (g/mL,25/4?): Undetermined

3. Relative vapor density (g/mL,Air=1): Undetermined

4. Melting point (ºC): 171

5. Boiling point (ºC,Normal pressure):360? or above

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive Index: Undetermined

8. Flash Point (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility:Almost insoluble in water, slightly soluble in ethanol, ether and benzene, soluble in inorganic acids to form a yellow to red solution.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 58.12

2. Molar volume (m³/mol):144.1

3. isotonic specific volume (90.2K):403.2

4. Surface Tension (dyne/cm):61.2

5. Polarizability?10^-24cm³): 23.04

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

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 25.8

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 163

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

None

Storage method

This product should be kept sealed, cool and dry.

Synthesis method

Aniline vapor can be passed through a red heat pipe, or o-phenylenediamine and catechol can be heated in the pipe, or 2-It is obtained by distillation of aminodiphenylamine and lead monoxide.

Purpose

Mainly used in dyes, medicines, organic synthesis intermediates and biochemicals Research.

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