structural formula
| business number | 0682 |
|---|---|
| molecular formula | c9h10o2 |
| molecular weight | 150.17 |
| label |
2,3-dimethylbenzoic acid, vic.-o-xylylic acid, (ch3)2c6h3co2h |
numbering system
cas number:603-79-2
mdl number:mfcd00002479
einecs number:210-058-0
rtecs number:dg8734000
brn number:971590
pubchem number:24848235
physical property data
physical property data: 1. appearance: white powder or crystal
2. melting point (°c): 144.8
3. crystalline phase standard combustion heat (enthalpy) (kj·mol-1): -4520.31
4. crystal phase standard claims heat (enthalpy) (kj·mol-1): -450.41
toxicological data
none
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: 42.83
2. molar volume (cm3/mol): 134.5
3. isotonic specific volume (90.2k): 344.6
4. surface tension (dyne/cm): 43.1
5. polarizability (10-24cm3): 16.98
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 37.3
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 154
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:
the product may not decompose under normal temperature and pressure.
storage method
storage:
seal the container and store it in a sealed main container in a cool, dry place.
synthesis method
none
purpose
1. uses
intermediates for organic synthesis.
