Coronabenzene

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:191-07-1

MDL number:MFCD00004134

EINECS number:205-881-7

RTECS number:GM5400000

BRN number:658468

PubChem number:24860308

Physical property data

1. Properties: Yellow needle-like crystals

2. Relative density: 1.377

3. Melting point (℃): 438~440

4. Boiling point (ºC): 525

5. Solubility: Insoluble in water, slightly soluble in benzene.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 111.35

2. Molar volume (cm³/mol): 204.7

3. Isotonic specific volume (90.2K ): 623.0

4. Surface tension (dyne/cm): 85.7

5. Dielectric constant: not available

6. Dipole moment (10 ^-24cm³): Not available

7. Polarizability: 44.14

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: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 24

8. Surface charge: 0

9. Complexity: 376

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

1. Exist in smoke.

2. IARC carcinogenicity assessment: Insufficient evidence, triggering activity.

Storage method

None

Synthesis method

1. Crystallize from benzene to obtain yellow needle crystals.

Purpose

None

Resource:allhdi.com</a