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.