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.