1,2,3,4-Benzenetetracarboxylic acid
Structural formula
| Business number | 020E |
|---|---|
| Molecular formula | C10H6O8 |
| Molecular weight | 254.15 |
| label |
1,2,4,5-tetracarboxylic acid benzene, Pyromellitic acid, Pyromellitic acid, Pyromellitic acid, C6H2(CO2H)4 |
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.
