4,4′,4”-trihydroxytrimethylbenzene

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:603-44-1

mdl number:none

einecs number:210-040-2

rtecs number:none

brn number:none

pubchem number:24853626

physical property data

none

toxicological data

none

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.

molecular structure data

5. molecular property data:

1, molar refractive index:85.61

2, molar volume (m³/mol):227.9

3, isotonic specific volume (90.2k ):636.2

4, surface tension (dyne/ cm):60.6

5、 polarizability (10^-24cm³): 33.93

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 3

5. number of tautomers: 4

6. topological molecule polar surface area 60.7

7. number of heavy atoms: 22

8. surface charge: 0

9. complexity: 269

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:

no decomposition products may occur under normal temperatures and pressures.

storage method

storage:

seal the secret container and store it in a sealed main container in a cool place dry position.

synthesis method

none

purpose

none