Methyl p-benzoquinone

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:553-97-9

MDL number:553-97-9

EINECS number:209-056-2

RTECS number:DK6300000

BRN number:471387

PubChem number:24889239

Physical property data

1. Physical property data

1. Melting point (℃): 66.5-68

2. Properties: light yellow or golden yellow crystals.

3. Relative density (d⁷⁵₄₎ ：1.08

Toxicological data

None yet

Ecological data

3. Ecological data:

1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 31.84

2. Molar volume (cm³/mol): 104.0

3. Isotonic specific volume (90.2K): 262.5

4. Surface tension (dyne/cm): 40.5

5. Polarizability (10^-24cm³): 12.62

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: 3

6. Topological molecule polar surface area 34.1

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 221

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

Properties and stability:

1. The product may not decompose under normal temperature and pressure.

2. Exist in smoke.

Storage method

Storage:

Seal the container, store it in a sealed main container, and place it in a cool, dry place.

Synthesis method

None yet

Purpose

Usage: Mainly used in pigments, dyes, and pharmaceutical intermediates.