4-Hydroxyisophthalic acid
Structural formula
| Business number | 0702 |
|---|---|
| Molecular formula | C8H6O5 |
| Molecular weight | 182.13 |
| label |
4-Hydroxy-1,3-phthalic acid, 4-hydroxyisophthalic acid, 4-Hydroxy-1,3-benzenedecarboxylic acid, Pharmaceutical intermediates |
Numbering system
CAS number:636-46-4
MDL number:MFCD00010391
EINECS number:211-258-0
RTECS number:NT2544000
BRN number:None
PubChem ID:None
Physical property data
1. Characteristics: white solid.
2. Density (g/mL,25/4℃): Undetermined
3. Relative vapor density (g/mL,AIR=1): 6.3
4. Melting point (ºC): 316
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: Undetermined
8. ASH Point (ºC): Undetermined
9. Specific optical 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 (octanol/Log value of partition coefficient (water): Undetermined
17. Explosion upper limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Easily soluble in water.
Toxicological data
None yet
Ecological data
Usually for Water is not hazardous and materials should not be discharged into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 41.99
2. Molar Volume (m3/mol）：112.9
3. Isotonic specific volume (90.2K):346.5
4. Surface Tension (dyne/cm):88.6
5. Polarizability（10-24cm3):16.64
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 6
6. Topological molecule polar surface area 94.8
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 225
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
Keep away from oxides and strong alkalis.
Storage method
Stored in Seal the container and place in a cool, dry place. Store away from oxidizing agents.
Synthesis method
None yet
Purpose
None yet
