Structural formula
| Business number | 05U8 |
|---|---|
| Molecular formula | C10H12O5 |
| Molecular weight | 212.2 |
| label |
2,3,4-Trimethoxybenzoic acid, Benzoic acid 2,3,4-trimethoxy-, 2,3,4-Trimethoxybenzoic, aromatic compounds |
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.
