2,3-dimethylbenzoic 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: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.