1,2,3,4-benzenetetracarboxylic 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:89-05-4

mdl number:mfcd00002471

einecs number:201-879-5

rtecs number:db9275000

brn number:none

pubchem number:24891744

physical property data

1. properties: white to slightly yellow powdery crystal.

2. density (g/ml, 25/4℃): 1.79

3. melting point (ºc): undetermined

4. melting point (ºc) ): 276℃ (anhydrous), 242℃ (with 2 molecules of crystal water),

5. crystalline phase standard combustion heat (enthalpy) (kj·mol^-1): -3244.02

6. crystal phase standard claims heat (enthalpy) (kj·mol^-1): -1548.58

7. crystal phase phase standard combustion heat (enthalpy) (kj·mol^-1): -3221.76

8. crystal phase standard claim heat (enthalpy) (kj·mol^-1 ): -1570.84

9. specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa, 25ºc): undetermined

12. saturated vapor pressure (kpa, 60ºc): undetermined

13. heat of combustion (kj/ mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water ( log value of the partition coefficient (octanol/water): undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/ v): undetermined

19. solubility: easily soluble in alcohol, slightly soluble in ether and water. can be sublimated.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 53.97

2. molar volume (cm³/mol): 139.5

3. isotonic specific volume (90.2k ): 455.7

4. surface tension (dyne/cm): 113.7

5. polarizability (10-24cm3): 21.39

computational chemistrydata

1. hydrophobic parameter calculation reference value (xlogp): 0

2. number of hydrogen bond donors: 4

3. number of hydrogen bond acceptors: 8

4. number of rotatable chemical bonds: 4

5. number of tautomers:

6. topological molecular polar surface area (tpsa): 149

7. number of heavy atoms: 18

8. surface charge: 0

9. complexity: 327

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 number: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

this product should be stored in a sealed, cool and dry place.

synthesis method

obtained from the oxidation of 1,2,4,5-tetramethylbenzene (or 5-isopropyl-1,2,4-trimethylbenzene), or from the chloromethylation and oxidation of xylene.

purpose

organic synthesis. epoxy resin hardener. intermediate of polyimide ester.