2,3,4-trimethoxybenzoic acid

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:573-11-5

mdl number:mfcd00002433

einecs number:209-350-0

rtecs number:none

brn number:2696073

pubchem number:24851397

physical property data

1. physical property data

1. character: white or off-white crystal

2. melting point (℃): 99-102

toxicological data

none yet

ecological data

3. ecological data:

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

molecular structure data

5. molecular property data:

1. molar refractive index: 53.21

2. molar volume (m³/mol）：173.9

3. isotonic specific volume (90.2k):439.4

4. surface tension (dyne/cm):40.6

5. polarizability（10^-24cm³):21.09

compute chemical data

4. calculated chemical data:

1. hydrophobic parameters calculate reference value (xlogp）：1.7

2. hydrogen bonding number of donors: 1

3. hydrogen bonding number of receptors: 5

4. rotatable number of chemical bonds: 4

5. topological molecules polar surface area (tpsa）：65

6. heavy atoms quantity: 15

7. surface charge ：0

8. complexity ：218

9. isotope atomic number:0

10. determine the number of atomic stereocenters:0

11. uncertain number of atomic stereocenters:0

12. determine the number of stereocenters of chemical bonds:0

13. uncertain number of chemical bond stereocenters:0

14. number of covalent bond units: 1

properties and stability

stability and reactivity:

materials to avoid: oxides.

products to be decomposed: carbon monoxide and carbon dioxide.

storage method

storage:

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

synthesis method

none yet

purpose

purpose:

used as an intermediate in organic synthesis.