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.